Within systematic studies on the K–Co–Mo–O system so-called high-temperature and high-pressure modifications of K
2Co
2Mo
3O
12 were found. The Birch–Murnaghan fits for the ambient-conditions modification α (
Z = 4) and the high-pressure phase II (
Z = 8) lead to
V0 = 1193.09 (4) Å
3,
K = 30.8 (8) GPa,
= 5.4 (4) and
V0 = 2170 (10) Å
3,
K = 51 (2) GPa with
fixed at 4.0, respectively. The high-pressure phase transition is denoted as pseudoreconstructive [Wiesmann
et al. (1997).
J. Solid State Chem. 132, 88–97], because some [MoO
4] tetrahedra turn into edge-sharing pairs of [MoO
5] pyramids or face-sharing pairs of [MoO
6] octahedra. The new phases are presented and compared with the α phase.
Supporting information
For all compounds, data collection: CrysAlis CCD, Oxford Diffraction Ltd., Version 1.171.31.4 (release 06-08-2006 CrysAlis171 .NET) (compiled Aug 6 2006,16:44:45); cell refinement: CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.31.4 (release 06-08-2006 CrysAlis171 .NET) (compiled Aug 6 2006,16:44:45); data reduction: CrysAlis RED, Oxford Diffraction Ltd., Version 1.171.31.4 (release 06-08-2006 CrysAlis171 .NET) (compiled Aug 6 2006,16:44:45). Program(s) used to solve structure: SHELXS97 (Sheldrick, 1990) for alpha; SHELXS97 (Sheldrick, 1997) for beta, (II). For all compounds, program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: Brandenburg et al. Diamond 3.0b; software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).
Crystal data top
Co2K2Mo3O12 | F(000) = 1256 |
Mr = 675.88 | Dx = 3.763 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 7.0093 (1) Å | Cell parameters from 7011 reflections |
b = 8.9624 (2) Å | θ = 2.5–30.1° |
c = 19.9977 (4) Å | µ = 6.59 mm−1 |
β = 108.247 (2)° | T = 293 K |
V = 1193.09 (4) Å3 | Prism, blue |
Z = 4 | 0.14 × 0.11 × 0.06 mm |
Data collection top
Oxford Diffraction Xcalibur (TM) Single Crystal X-ray Diffractometer
with Sapphire CCD Detector. | 2435 independent reflections |
Radiation source: Enhance (Mo) X-ray Source | 2152 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.017 |
Detector resolution: 8.4012 pixels mm-1 | θmax = 26.4°, θmin = 2.5° |
Rotation method data acquisition using ω and phi scans. | h = −5→8 |
Absorption correction: analytical CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.4 (release 06-08-2006 CrysAlis171 .NET)
(compiled Aug 6 2006,16:44:45)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) | k = −11→11 |
Tmin = 0.573, Tmax = 0.751 | l = −24→24 |
8014 measured reflections | |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.028 | w = 1/[σ2(Fo2) + (0.098P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.137 | (Δ/σ)max < 0.001 |
S = 1.24 | Δρmax = 2.94 e Å−3 |
2435 reflections | Δρmin = −1.61 e Å−3 |
173 parameters | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
0 restraints | Extinction coefficient: 0.0075 (7) |
Crystal data top
Co2K2Mo3O12 | V = 1193.09 (4) Å3 |
Mr = 675.88 | Z = 4 |
Monoclinic, P21/c | Mo Kα radiation |
a = 7.0093 (1) Å | µ = 6.59 mm−1 |
b = 8.9624 (2) Å | T = 293 K |
c = 19.9977 (4) Å | 0.14 × 0.11 × 0.06 mm |
β = 108.247 (2)° | |
Data collection top
Oxford Diffraction Xcalibur (TM) Single Crystal X-ray Diffractometer
with Sapphire CCD Detector. | 2435 independent reflections |
Absorption correction: analytical CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.4 (release 06-08-2006 CrysAlis171 .NET)
(compiled Aug 6 2006,16:44:45)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) | 2152 reflections with I > 2σ(I) |
Tmin = 0.573, Tmax = 0.751 | Rint = 0.017 |
8014 measured reflections | |
Refinement top
R[F2 > 2σ(F2)] = 0.028 | 173 parameters |
wR(F2) = 0.137 | 0 restraints |
S = 1.24 | Δρmax = 2.94 e Å−3 |
2435 reflections | Δρmin = −1.61 e Å−3 |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Mo1 | 0.04914 (8) | 0.34200 (6) | 0.27004 (3) | 0.0103 (2) | |
Mo2 | 0.80582 (8) | 0.73501 (6) | 0.40157 (3) | 0.0090 (2) | |
Mo3 | 0.58498 (8) | 0.33816 (6) | 0.45880 (3) | 0.0098 (2) | |
Co1 | 0.27783 (13) | 0.65556 (9) | 0.36482 (4) | 0.0077 (3) | |
Co2 | 0.07178 (12) | 0.41935 (9) | 0.43901 (4) | 0.0078 (3) | |
K1 | 0.1961 (3) | 0.04268 (18) | 0.40919 (9) | 0.0245 (4) | |
K2 | 0.5042 (3) | 0.0135 (3) | 0.27230 (11) | 0.0410 (6) | |
O1 | 0.2132 (8) | 0.2065 (6) | 0.2592 (3) | 0.0256 (12) | |
O2 | 0.1740 (7) | 0.5164 (5) | 0.2797 (2) | 0.0163 (10) | |
O3 | −0.0096 (7) | 0.3013 (6) | 0.3486 (2) | 0.0190 (11) | |
O4 | −0.1777 (7) | 0.3429 (5) | 0.1962 (2) | 0.0120 (10) | |
O6 | 0.5621 (7) | 0.6710 (5) | 0.3549 (3) | 0.0137 (10) | |
O5 | 0.8305 (7) | 0.9128 (5) | 0.3723 (3) | 0.0189 (11) | |
O7 | 0.8403 (7) | 0.7553 (5) | 0.4934 (2) | 0.0152 (10) | |
O8 | 1.0029 (6) | 0.6221 (5) | 0.3884 (2) | 0.0115 (9) | |
O9 | 0.5421 (8) | 0.2074 (6) | 0.3943 (3) | 0.0258 (12) | |
O10 | 0.6224 (7) | 0.2339 (5) | 0.5369 (2) | 0.0146 (10) | |
O11 | 0.8061 (7) | 0.4433 (5) | 0.4606 (2) | 0.0136 (10) | |
O12 | 0.3644 (7) | 0.4571 (5) | 0.4350 (3) | 0.0147 (10) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Mo1 | 0.0097 (3) | 0.0122 (4) | 0.0080 (3) | −0.00045 (19) | 0.0012 (2) | −0.00164 (19) |
Mo2 | 0.0076 (3) | 0.0104 (3) | 0.0087 (3) | 0.0009 (2) | 0.0021 (2) | 0.00107 (19) |
Mo3 | 0.0073 (3) | 0.0114 (4) | 0.0098 (3) | 0.00017 (19) | 0.0012 (2) | 0.00075 (19) |
Co1 | 0.0060 (4) | 0.0091 (5) | 0.0077 (5) | 0.0003 (3) | 0.0019 (3) | 0.0001 (3) |
Co2 | 0.0071 (4) | 0.0098 (5) | 0.0074 (4) | 0.0018 (3) | 0.0037 (3) | 0.0016 (3) |
K1 | 0.0274 (9) | 0.0161 (8) | 0.0309 (9) | −0.0021 (6) | 0.0105 (7) | −0.0063 (6) |
K2 | 0.0316 (10) | 0.0644 (14) | 0.0329 (11) | 0.0273 (10) | 0.0186 (8) | 0.0238 (10) |
O1 | 0.016 (3) | 0.027 (3) | 0.029 (3) | 0.006 (2) | 0.001 (2) | −0.010 (2) |
O2 | 0.018 (2) | 0.018 (2) | 0.015 (2) | −0.006 (2) | 0.008 (2) | −0.0063 (19) |
O3 | 0.027 (3) | 0.021 (2) | 0.011 (2) | −0.010 (2) | 0.010 (2) | −0.002 (2) |
O4 | 0.011 (2) | 0.011 (2) | 0.012 (2) | −0.0001 (16) | −0.0001 (19) | −0.0025 (16) |
O6 | 0.008 (2) | 0.021 (3) | 0.013 (2) | −0.0016 (18) | 0.0045 (19) | −0.0017 (18) |
O5 | 0.019 (3) | 0.016 (3) | 0.021 (3) | 0.002 (2) | 0.005 (2) | 0.007 (2) |
O7 | 0.020 (3) | 0.014 (2) | 0.013 (2) | 0.0031 (19) | 0.006 (2) | −0.0004 (18) |
O8 | 0.010 (2) | 0.014 (2) | 0.012 (2) | 0.0005 (18) | 0.0050 (18) | 0.0027 (18) |
O9 | 0.027 (3) | 0.025 (3) | 0.022 (3) | −0.001 (2) | 0.003 (2) | −0.010 (2) |
O10 | 0.014 (2) | 0.015 (2) | 0.014 (2) | 0.0004 (18) | 0.003 (2) | 0.0024 (18) |
O11 | 0.013 (2) | 0.017 (2) | 0.012 (2) | −0.0018 (19) | 0.0052 (19) | 0.0006 (18) |
O12 | 0.010 (2) | 0.016 (2) | 0.017 (2) | 0.0019 (18) | 0.0029 (19) | 0.0073 (19) |
Geometric parameters (Å, º) top
Mo1—O1 | 1.732 (5) | K1—O5vii | 2.698 (5) |
Mo1—O2 | 1.772 (5) | K1—O7v | 2.728 (5) |
Mo1—O3 | 1.783 (5) | K1—O4viii | 2.738 (5) |
Mo1—O4 | 1.799 (5) | K1—O3 | 2.797 (6) |
Mo1—K1 | 3.7691 (18) | K1—O10ix | 2.840 (5) |
Mo1—K2i | 3.8134 (19) | K1—O9 | 2.933 (6) |
Mo1—K1ii | 3.8959 (18) | K1—O1 | 3.376 (6) |
Mo1—K2ii | 4.008 (2) | K1—Co1x | 3.6704 (18) |
Mo2—O5 | 1.725 (5) | K1—Mo2vii | 3.8534 (17) |
Mo2—O6 | 1.766 (5) | K2—O1 | 2.624 (6) |
Mo2—O7 | 1.786 (5) | K2—O5x | 2.679 (5) |
Mo2—O8 | 1.797 (4) | K2—O2xi | 2.764 (5) |
Mo2—K2iii | 3.736 (2) | K2—O6xi | 2.818 (5) |
Mo2—K1iv | 3.8534 (17) | K2—O9 | 2.939 (6) |
Mo2—K2i | 4.0024 (19) | K2—O4viii | 2.979 (5) |
Mo3—O9 | 1.698 (5) | K2—Mo2x | 3.736 (2) |
Mo3—O10 | 1.768 (5) | K2—Co1xi | 3.755 (2) |
Mo3—O11 | 1.805 (5) | K2—Mo1xi | 3.8134 (19) |
Mo3—O12 | 1.815 (4) | K2—Mo2xi | 4.0024 (19) |
Mo3—K1 | 3.7059 (17) | K2—Mo1viii | 4.008 (2) |
Co1—O2 | 2.051 (5) | O2—K2i | 2.764 (5) |
Co1—O4ii | 2.065 (4) | O4—Co1viii | 2.065 (4) |
Co1—O6 | 2.068 (5) | O4—K1ii | 2.738 (5) |
Co1—O10v | 2.114 (5) | O4—K2ii | 2.979 (5) |
Co1—O8vi | 2.144 (4) | O6—K2i | 2.818 (5) |
Co1—O12 | 2.229 (5) | O5—K2iii | 2.679 (5) |
Co1—K1iii | 3.6704 (18) | O5—K1iv | 2.698 (5) |
Co1—K2i | 3.755 (2) | O7—Co2v | 2.033 (5) |
Co2—O3 | 2.016 (5) | O7—K1v | 2.728 (5) |
Co2—O7v | 2.033 (5) | O8—Co2xii | 2.062 (5) |
Co2—O11vi | 2.050 (5) | O8—Co1xii | 2.144 (4) |
Co2—O8vi | 2.062 (5) | O10—Co1v | 2.114 (5) |
Co2—O12 | 2.105 (5) | O10—K1ix | 2.840 (5) |
Co2—O11v | 2.281 (5) | O11—Co2xii | 2.050 (5) |
Co2—K1 | 3.5828 (18) | O11—Co2v | 2.281 (5) |
| | | |
O1—Mo1—O2 | 107.9 (3) | O10ix—K1—Co1x | 35.04 (10) |
O1—Mo1—O3 | 108.2 (3) | O9—K1—Co1x | 104.75 (12) |
O2—Mo1—O3 | 109.1 (2) | O1—K1—Co1x | 98.32 (10) |
O1—Mo1—O4 | 110.6 (2) | Co2—K1—Co1x | 174.51 (6) |
O2—Mo1—O4 | 111.4 (2) | O5vii—K1—Mo3 | 159.62 (12) |
O3—Mo1—O4 | 109.6 (2) | O7v—K1—Mo3 | 63.90 (11) |
O1—Mo1—K1 | 63.6 (2) | O4viii—K1—Mo3 | 121.79 (11) |
O2—Mo1—K1 | 122.39 (16) | O3—K1—Mo3 | 76.11 (11) |
O3—Mo1—K1 | 44.66 (18) | O10ix—K1—Mo3 | 108.52 (11) |
O4—Mo1—K1 | 125.17 (14) | O9—K1—Mo3 | 26.52 (10) |
O1—Mo1—K2i | 68.4 (2) | O1—K1—Mo3 | 72.49 (10) |
O2—Mo1—K2i | 42.00 (16) | Co2—K1—Mo3 | 58.60 (3) |
O3—Mo1—K2i | 135.28 (16) | Co1x—K1—Mo3 | 125.65 (5) |
O4—Mo1—K2i | 113.08 (15) | O5vii—K1—Mo1 | 95.07 (11) |
K1—Mo1—K2i | 113.41 (5) | O7v—K1—Mo1 | 89.40 (11) |
O1—Mo1—K1ii | 109.11 (19) | O4viii—K1—Mo1 | 87.76 (10) |
O2—Mo1—K1ii | 75.74 (16) | O3—K1—Mo1 | 26.61 (10) |
O3—Mo1—K1ii | 138.45 (17) | O10ix—K1—Mo1 | 152.58 (11) |
O4—Mo1—K1ii | 38.84 (15) | O9—K1—Mo1 | 67.07 (11) |
K1—Mo1—K1ii | 161.38 (4) | O1—K1—Mo1 | 27.35 (9) |
K2i—Mo1—K1ii | 76.47 (4) | Co2—K1—Mo1 | 55.10 (3) |
O1—Mo1—K2ii | 151.52 (18) | Co1x—K1—Mo1 | 121.44 (5) |
O2—Mo1—K2ii | 95.57 (17) | Mo3—K1—Mo1 | 72.37 (3) |
O3—Mo1—K2ii | 77.84 (17) | O5vii—K1—Mo2vii | 22.92 (10) |
O4—Mo1—K2ii | 43.69 (15) | O7v—K1—Mo2vii | 106.22 (11) |
K1—Mo1—K2ii | 116.85 (4) | O4viii—K1—Mo2vii | 68.89 (10) |
K2i—Mo1—K2ii | 127.29 (7) | O3—K1—Mo2vii | 108.21 (11) |
K1ii—Mo1—K2ii | 60.63 (4) | O10ix—K1—Mo2vii | 67.58 (10) |
O5—Mo2—O6 | 107.7 (2) | O9—K1—Mo2vii | 162.84 (12) |
O5—Mo2—O7 | 105.1 (2) | O1—K1—Mo2vii | 119.90 (10) |
O6—Mo2—O7 | 111.9 (2) | Co2—K1—Mo2vii | 118.31 (5) |
O5—Mo2—O8 | 107.9 (2) | Co1x—K1—Mo2vii | 58.44 (3) |
O6—Mo2—O8 | 113.6 (2) | Mo3—K1—Mo2vii | 167.29 (6) |
O7—Mo2—O8 | 110.2 (2) | Mo1—K1—Mo2vii | 116.97 (5) |
O5—Mo2—K2iii | 40.81 (16) | O1—K2—O5x | 138.76 (18) |
O6—Mo2—K2iii | 66.89 (16) | O1—K2—O2xi | 131.05 (19) |
O7—Mo2—K2iii | 120.57 (15) | O5x—K2—O2xi | 71.17 (15) |
O8—Mo2—K2iii | 124.72 (14) | O1—K2—O6xi | 71.12 (17) |
O5—Mo2—K1iv | 37.53 (16) | O5x—K2—O6xi | 134.69 (16) |
O6—Mo2—K1iv | 144.16 (16) | O2xi—K2—O6xi | 65.10 (14) |
O7—Mo2—K1iv | 91.19 (16) | O1—K2—O9 | 63.81 (16) |
O8—Mo2—K1iv | 80.81 (15) | O5x—K2—O9 | 75.26 (16) |
K2iii—Mo2—K1iv | 77.89 (5) | O2xi—K2—O9 | 115.77 (18) |
O5—Mo2—K2i | 104.35 (17) | O6xi—K2—O9 | 113.59 (17) |
O6—Mo2—K2i | 37.62 (15) | O1—K2—O4viii | 74.63 (16) |
O7—Mo2—K2i | 143.70 (16) | O5x—K2—O4viii | 101.67 (15) |
O8—Mo2—K2i | 80.02 (15) | O2xi—K2—O4viii | 148.84 (16) |
K2iii—Mo2—K2i | 72.221 (13) | O6xi—K2—O4viii | 121.83 (15) |
K1iv—Mo2—K2i | 125.09 (4) | O9—K2—O4viii | 90.21 (15) |
O9—Mo3—O10 | 104.4 (3) | O1—K2—Mo2x | 139.75 (14) |
O9—Mo3—O11 | 108.8 (2) | O5x—K2—Mo2x | 24.88 (11) |
O10—Mo3—O11 | 111.7 (2) | O2xi—K2—Mo2x | 85.12 (11) |
O9—Mo3—O12 | 105.8 (2) | O6xi—K2—Mo2x | 148.97 (11) |
O10—Mo3—O12 | 114.9 (2) | O9—K2—Mo2x | 86.33 (12) |
O11—Mo3—O12 | 110.7 (2) | O4viii—K2—Mo2x | 79.43 (10) |
O9—Mo3—K1 | 50.44 (19) | O1—K2—Co1xi | 100.65 (15) |
O10—Mo3—K1 | 75.65 (15) | O5x—K2—Co1xi | 102.21 (12) |
O11—Mo3—K1 | 158.99 (15) | O2xi—K2—Co1xi | 32.37 (10) |
O12—Mo3—K1 | 81.64 (15) | O6xi—K2—Co1xi | 32.92 (10) |
O2—Co1—O4ii | 92.15 (19) | O9—K2—Co1xi | 117.02 (14) |
O2—Co1—O6 | 93.63 (19) | O4viii—K2—Co1xi | 147.52 (12) |
O4ii—Co1—O6 | 92.77 (19) | Mo2x—K2—Co1xi | 117.40 (5) |
O2—Co1—O10v | 169.83 (19) | O1—K2—Mo1xi | 155.51 (15) |
O4ii—Co1—O10v | 96.92 (18) | O5x—K2—Mo1xi | 57.41 (11) |
O6—Co1—O10v | 90.53 (18) | O2xi—K2—Mo1xi | 25.41 (10) |
O2—Co1—O8vi | 89.30 (18) | O6xi—K2—Mo1xi | 85.19 (10) |
O4ii—Co1—O8vi | 94.68 (18) | O9—K2—Mo1xi | 123.75 (13) |
O6—Co1—O8vi | 171.88 (18) | O4viii—K2—Mo1xi | 125.34 (11) |
O10v—Co1—O8vi | 85.39 (17) | Mo2x—K2—Mo1xi | 63.78 (3) |
O2—Co1—O12 | 89.60 (19) | Co1xi—K2—Mo1xi | 54.86 (3) |
O4ii—Co1—O12 | 174.90 (19) | O1—K2—K1 | 56.96 (14) |
O6—Co1—O12 | 91.89 (18) | O5x—K2—K1 | 91.68 (12) |
O10v—Co1—O12 | 80.98 (17) | O2xi—K2—K1 | 159.74 (13) |
O8vi—Co1—O12 | 80.55 (17) | O6xi—K2—K1 | 127.94 (11) |
O2—Co1—K1iii | 137.21 (15) | O9—K2—K1 | 47.12 (12) |
O4ii—Co1—K1iii | 47.50 (13) | O4viii—K2—K1 | 43.29 (10) |
O6—Co1—K1iii | 100.83 (13) | Mo2x—K2—K1 | 83.09 (4) |
O10v—Co1—K1iii | 50.48 (13) | Co1xi—K2—K1 | 155.52 (7) |
O8vi—Co1—K1iii | 81.96 (13) | Mo1xi—K2—K1 | 146.81 (6) |
O12—Co1—K1iii | 129.38 (13) | O1—K2—Mo2xi | 52.61 (13) |
O2—Co1—K2i | 46.17 (14) | O5x—K2—Mo2xi | 156.87 (13) |
O4ii—Co1—K2i | 89.12 (14) | O2xi—K2—Mo2xi | 87.34 (11) |
O6—Co1—K2i | 47.79 (14) | O6xi—K2—Mo2xi | 22.49 (9) |
O10v—Co1—K2i | 138.22 (13) | O9—K2—Mo2xi | 108.15 (13) |
O8vi—Co1—K2i | 135.46 (13) | O4viii—K2—Mo2xi | 101.19 (10) |
O12—Co1—K2i | 95.54 (13) | Mo2x—K2—Mo2xi | 165.47 (7) |
K1iii—Co1—K2i | 128.83 (5) | Co1xi—K2—Mo2xi | 55.38 (3) |
O3—Co2—O7v | 97.7 (2) | Mo1xi—K2—Mo2xi | 105.50 (5) |
O3—Co2—O11vi | 102.86 (19) | K1—K2—Mo2xi | 107.47 (5) |
O7v—Co2—O11vi | 92.72 (19) | O1—K2—Mo1viii | 63.98 (13) |
O3—Co2—O8vi | 93.8 (2) | O5x—K2—Mo1viii | 124.88 (12) |
O7v—Co2—O8vi | 168.55 (19) | O2xi—K2—Mo1viii | 140.69 (13) |
O11vi—Co2—O8vi | 85.54 (17) | O6xi—K2—Mo1viii | 97.25 (11) |
O3—Co2—O12 | 93.2 (2) | O9—K2—Mo1viii | 103.42 (12) |
O7v—Co2—O12 | 93.02 (18) | O4viii—K2—Mo1viii | 24.66 (9) |
O11vi—Co2—O12 | 162.06 (19) | Mo2x—K2—Mo1viii | 100.97 (5) |
O8vi—Co2—O12 | 85.46 (18) | Co1xi—K2—Mo1viii | 124.32 (6) |
O3—Co2—O11v | 174.29 (19) | Mo1xi—K2—Mo1viii | 127.29 (7) |
O7v—Co2—O11v | 83.01 (17) | K1—K2—Mo1viii | 58.29 (4) |
O11vi—Co2—O11v | 82.75 (18) | Mo2xi—K2—Mo1viii | 77.32 (4) |
O8vi—Co2—O11v | 85.54 (18) | Mo1—O1—K2 | 167.3 (3) |
O12—Co2—O11v | 81.10 (18) | Mo1—O1—K1 | 89.1 (2) |
O3—Co2—K1 | 51.08 (16) | K2—O1—K1 | 82.37 (16) |
O7v—Co2—K1 | 49.17 (13) | Mo1—O2—Co1 | 131.4 (3) |
O11vi—Co2—K1 | 114.71 (13) | Mo1—O2—K2i | 112.6 (2) |
O8vi—Co2—K1 | 141.29 (13) | Co1—O2—K2i | 101.46 (18) |
O12—Co2—K1 | 81.63 (13) | Mo1—O3—Co2 | 127.2 (3) |
O11v—Co2—K1 | 127.67 (12) | Mo1—O3—K1 | 108.7 (2) |
O5vii—K1—O7v | 100.88 (16) | Co2—O3—K1 | 94.81 (19) |
O5vii—K1—O4viii | 72.27 (15) | Mo1—O4—Co1viii | 122.0 (2) |
O7v—K1—O4viii | 172.30 (16) | Mo1—O4—K1ii | 116.8 (2) |
O5vii—K1—O3 | 85.55 (15) | Co1viii—O4—K1ii | 98.70 (18) |
O7v—K1—O3 | 66.95 (15) | Mo1—O4—K2ii | 111.7 (2) |
O4viii—K1—O3 | 108.35 (15) | Co1viii—O4—K2ii | 113.63 (19) |
O5vii—K1—O10ix | 90.08 (14) | K1ii—O4—K2ii | 88.45 (14) |
O7v—K1—O10ix | 116.07 (15) | Mo2—O6—Co1 | 140.6 (3) |
O4viii—K1—O10ix | 68.21 (14) | Mo2—O6—K2i | 119.9 (2) |
O3—K1—O10ix | 175.16 (15) | Co1—O6—K2i | 99.29 (18) |
O5vii—K1—O9 | 159.06 (16) | Mo2—O5—K2iii | 114.3 (2) |
O7v—K1—O9 | 90.19 (16) | Mo2—O5—K1iv | 119.6 (2) |
O4viii—K1—O9 | 95.28 (15) | K2iii—O5—K1iv | 125.06 (19) |
O3—K1—O9 | 82.51 (15) | Mo2—O7—Co2v | 121.3 (2) |
O10ix—K1—O9 | 101.03 (16) | Mo2—O7—K1v | 142.1 (2) |
O5vii—K1—O1 | 103.85 (15) | Co2v—O7—K1v | 96.52 (18) |
O7v—K1—O1 | 112.50 (15) | Mo2—O8—Co2xii | 119.8 (2) |
O4viii—K1—O1 | 66.82 (13) | Mo2—O8—Co1xii | 137.6 (3) |
O3—K1—O1 | 53.97 (14) | Co2xii—O8—Co1xii | 98.22 (18) |
O10ix—K1—O1 | 125.48 (14) | Mo3—O9—K1 | 103.0 (2) |
O9—K1—O1 | 55.27 (14) | Mo3—O9—K2 | 170.7 (3) |
O5vii—K1—Co2 | 101.10 (12) | K1—O9—K2 | 85.64 (16) |
O7v—K1—Co2 | 34.32 (10) | Mo3—O10—Co1v | 119.2 (2) |
O4viii—K1—Co2 | 142.10 (11) | Mo3—O10—K1ix | 136.2 (2) |
O3—K1—Co2 | 34.11 (10) | Co1v—O10—K1ix | 94.47 (17) |
O10ix—K1—Co2 | 149.62 (12) | Mo3—O11—Co2xii | 140.6 (3) |
O9—K1—Co2 | 78.15 (12) | Mo3—O11—Co2v | 112.5 (2) |
O1—K1—Co2 | 79.41 (10) | Co2xii—O11—Co2v | 97.25 (18) |
O5vii—K1—Co1x | 74.50 (11) | Mo3—O12—Co2 | 131.0 (2) |
O7v—K1—Co1x | 148.90 (12) | Mo3—O12—Co1 | 132.5 (2) |
O4viii—K1—Co1x | 33.80 (10) | Co2—O12—Co1 | 94.35 (18) |
O3—K1—Co1x | 140.98 (12) | | |
| | | |
O3—Co2—K1—O5vii | −64.5 (2) | Co2—K1—K2—Mo1viii | −114.95 (6) |
O7v—Co2—K1—O5vii | 93.1 (2) | Co1x—K1—K2—Mo1viii | 59.10 (3) |
O11vi—Co2—K1—O5vii | 22.26 (18) | Mo3—K1—K2—Mo1viii | −159.57 (4) |
O8vi—Co2—K1—O5vii | −93.7 (2) | Mo1—K1—K2—Mo1viii | −82.37 (3) |
O12—Co2—K1—O5vii | −165.52 (17) | Mo2vii—K1—K2—Mo1viii | 27.58 (4) |
O11v—Co2—K1—O5vii | 122.61 (18) | O2—Mo1—O1—K2 | 70.2 (15) |
O3—Co2—K1—O7v | −157.6 (3) | O3—Mo1—O1—K2 | −47.7 (16) |
O11vi—Co2—K1—O7v | −70.8 (2) | O4—Mo1—O1—K2 | −167.7 (15) |
O8vi—Co2—K1—O7v | 173.2 (3) | K1—Mo1—O1—K2 | −47.7 (15) |
O12—Co2—K1—O7v | 101.4 (2) | K2i—Mo1—O1—K2 | 84.7 (15) |
O11v—Co2—K1—O7v | 29.5 (2) | K1ii—Mo1—O1—K2 | 150.9 (15) |
O3—Co2—K1—O4viii | 10.8 (3) | K2ii—Mo1—O1—K2 | −145.8 (12) |
O7v—Co2—K1—O4viii | 168.4 (3) | O2—Mo1—O1—K1 | 117.92 (19) |
O11vi—Co2—K1—O4viii | 97.6 (2) | O3—Mo1—O1—K1 | 0.0 (2) |
O8vi—Co2—K1—O4viii | −18.3 (3) | O4—Mo1—O1—K1 | −120.04 (18) |
O12—Co2—K1—O4viii | −90.2 (2) | K2i—Mo1—O1—K1 | 132.42 (15) |
O11v—Co2—K1—O4viii | −162.1 (2) | K1ii—Mo1—O1—K1 | −161.41 (5) |
O7v—Co2—K1—O3 | 157.6 (3) | K2ii—Mo1—O1—K1 | −98.1 (4) |
O11vi—Co2—K1—O3 | 86.8 (2) | O5x—K2—O1—Mo1 | 1.8 (17) |
O8vi—Co2—K1—O3 | −29.2 (3) | O2xi—K2—O1—Mo1 | −108.3 (15) |
O12—Co2—K1—O3 | −101.0 (2) | O6xi—K2—O1—Mo1 | −135.7 (15) |
O11v—Co2—K1—O3 | −172.9 (2) | O9—K2—O1—Mo1 | −6.0 (15) |
O3—Co2—K1—O10ix | −174.2 (3) | O4viii—K2—O1—Mo1 | 92.0 (15) |
O7v—Co2—K1—O10ix | −16.6 (3) | Mo2x—K2—O1—Mo1 | 40.3 (17) |
O11vi—Co2—K1—O10ix | −87.5 (3) | Co1xi—K2—O1—Mo1 | −121.0 (15) |
O8vi—Co2—K1—O10ix | 156.6 (3) | Mo1xi—K2—O1—Mo1 | −120.4 (14) |
O12—Co2—K1—O10ix | 84.8 (3) | K1—K2—O1—Mo1 | 48.2 (15) |
O11v—Co2—K1—O10ix | 12.9 (3) | Mo2xi—K2—O1—Mo1 | −150.4 (16) |
O3—Co2—K1—O9 | 94.1 (2) | Mo1viii—K2—O1—Mo1 | 115.9 (16) |
O7v—Co2—K1—O9 | −108.3 (2) | O5x—K2—O1—K1 | −46.5 (3) |
O11vi—Co2—K1—O9 | −179.10 (18) | O2xi—K2—O1—K1 | −156.57 (19) |
O8vi—Co2—K1—O9 | 65.0 (2) | O6xi—K2—O1—K1 | 176.03 (16) |
O12—Co2—K1—O9 | −6.88 (17) | O9—K2—O1—K1 | −54.21 (15) |
O11v—Co2—K1—O9 | −78.75 (18) | O4viii—K2—O1—K1 | 43.80 (12) |
O3—Co2—K1—O1 | 37.7 (2) | Mo2x—K2—O1—K1 | −7.9 (3) |
O7v—Co2—K1—O1 | −164.70 (19) | Co1xi—K2—O1—K1 | −169.21 (9) |
O11vi—Co2—K1—O1 | 124.47 (17) | Mo1xi—K2—O1—K1 | −168.7 (3) |
O8vi—Co2—K1—O1 | 8.5 (2) | Mo2xi—K2—O1—K1 | 161.41 (17) |
O12—Co2—K1—O1 | −63.30 (16) | Mo1viii—K2—O1—K1 | 67.65 (9) |
O11v—Co2—K1—O1 | −135.18 (17) | O5vii—K1—O1—Mo1 | 73.8 (2) |
O3—Co2—K1—Co1x | −28.3 (6) | O7v—K1—O1—Mo1 | −34.4 (2) |
O7v—Co2—K1—Co1x | 129.3 (6) | O4viii—K1—O1—Mo1 | 137.3 (2) |
O11vi—Co2—K1—Co1x | 58.5 (6) | O3—K1—O1—Mo1 | −0.02 (16) |
O8vi—Co2—K1—Co1x | −57.4 (7) | O10ix—K1—O1—Mo1 | 174.06 (18) |
O12—Co2—K1—Co1x | −129.3 (6) | O9—K1—O1—Mo1 | −108.0 (2) |
O11v—Co2—K1—Co1x | 158.8 (6) | Co2—K1—O1—Mo1 | −25.12 (16) |
O3—Co2—K1—Mo3 | 113.57 (18) | Co1x—K1—O1—Mo1 | 149.82 (17) |
O7v—Co2—K1—Mo3 | −88.85 (18) | Mo3—K1—O1—Mo1 | −85.33 (18) |
O11vi—Co2—K1—Mo3 | −159.67 (14) | Mo2vii—K1—O1—Mo1 | 91.56 (19) |
O8vi—Co2—K1—Mo3 | 84.4 (2) | O5vii—K1—O1—K2 | −115.64 (17) |
O12—Co2—K1—Mo3 | 12.55 (13) | O7v—K1—O1—K2 | 136.14 (16) |
O11v—Co2—K1—Mo3 | −59.33 (15) | O4viii—K1—O1—K2 | −52.18 (15) |
O3—Co2—K1—Mo1 | 23.96 (18) | O3—K1—O1—K2 | 170.5 (2) |
O7v—Co2—K1—Mo1 | −178.46 (18) | O10ix—K1—O1—K2 | −15.4 (2) |
O11vi—Co2—K1—Mo1 | 110.71 (14) | O9—K1—O1—K2 | 62.56 (17) |
O8vi—Co2—K1—Mo1 | −5.2 (2) | Co2—K1—O1—K2 | 145.41 (14) |
O12—Co2—K1—Mo1 | −77.07 (14) | Co1x—K1—O1—K2 | −39.66 (13) |
O11v—Co2—K1—Mo1 | −148.94 (15) | Mo3—K1—O1—K2 | 85.20 (12) |
O3—Co2—K1—Mo2vii | −80.66 (18) | Mo1—K1—O1—K2 | 170.5 (3) |
O7v—Co2—K1—Mo2vii | 76.92 (19) | Mo2vii—K1—O1—K2 | −97.92 (13) |
O11vi—Co2—K1—Mo2vii | 6.09 (15) | O1—Mo1—O2—Co1 | −110.5 (4) |
O8vi—Co2—K1—Mo2vii | −109.8 (2) | O3—Mo1—O2—Co1 | 6.8 (4) |
O12—Co2—K1—Mo2vii | 178.31 (14) | O4—Mo1—O2—Co1 | 128.0 (3) |
O11v—Co2—K1—Mo2vii | 106.44 (15) | K1—Mo1—O2—Co1 | −40.9 (4) |
O9—Mo3—K1—O5vii | −127.7 (4) | K2i—Mo1—O2—Co1 | −130.9 (5) |
O10—Mo3—K1—O5vii | 109.3 (4) | K1ii—Mo1—O2—Co1 | 143.6 (4) |
O11—Mo3—K1—O5vii | −137.2 (5) | K2ii—Mo1—O2—Co1 | 85.9 (3) |
O12—Mo3—K1—O5vii | −9.1 (4) | O1—Mo1—O2—K2i | 20.3 (3) |
O9—Mo3—K1—O7v | −172.1 (3) | O3—Mo1—O2—K2i | 137.7 (2) |
O10—Mo3—K1—O7v | 64.98 (19) | O4—Mo1—O2—K2i | −101.2 (2) |
O11—Mo3—K1—O7v | 178.5 (4) | K1—Mo1—O2—K2i | 89.9 (2) |
O12—Mo3—K1—O7v | −53.48 (19) | K1ii—Mo1—O2—K2i | −85.49 (18) |
O9—Mo3—K1—O4viii | 2.0 (3) | K2ii—Mo1—O2—K2i | −143.27 (18) |
O10—Mo3—K1—O4viii | −121.0 (2) | O4ii—Co1—O2—Mo1 | −138.7 (4) |
O11—Mo3—K1—O4viii | −7.5 (4) | O6—Co1—O2—Mo1 | 128.4 (4) |
O12—Mo3—K1—O4viii | 120.6 (2) | O10v—Co1—O2—Mo1 | 14.4 (13) |
O9—Mo3—K1—O3 | −101.2 (3) | O8vi—Co1—O2—Mo1 | −44.1 (4) |
O10—Mo3—K1—O3 | 135.84 (19) | O12—Co1—O2—Mo1 | 36.5 (4) |
O11—Mo3—K1—O3 | −110.7 (4) | K1iii—Co1—O2—Mo1 | −121.4 (3) |
O12—Mo3—K1—O3 | 17.38 (19) | K2i—Co1—O2—Mo1 | 134.6 (5) |
O9—Mo3—K1—O10ix | 77.3 (3) | O4ii—Co1—O2—K2i | 86.7 (2) |
O10—Mo3—K1—O10ix | −45.6 (2) | O6—Co1—O2—K2i | −6.2 (2) |
O11—Mo3—K1—O10ix | 67.9 (4) | O10v—Co1—O2—K2i | −120.2 (10) |
O12—Mo3—K1—O10ix | −164.08 (19) | O8vi—Co1—O2—K2i | −178.62 (19) |
O10—Mo3—K1—O9 | −122.9 (3) | O12—Co1—O2—K2i | −98.07 (19) |
O11—Mo3—K1—O9 | −9.4 (5) | K1iii—Co1—O2—K2i | 104.03 (19) |
O12—Mo3—K1—O9 | 118.6 (3) | O1—Mo1—O3—Co2 | 111.6 (4) |
O9—Mo3—K1—O1 | −45.1 (3) | O2—Mo1—O3—Co2 | −5.6 (4) |
O10—Mo3—K1—O1 | −168.04 (19) | O4—Mo1—O3—Co2 | −127.8 (3) |
O11—Mo3—K1—O1 | −54.5 (4) | K1—Mo1—O3—Co2 | 111.6 (4) |
O12—Mo3—K1—O1 | 73.50 (18) | K2i—Mo1—O3—Co2 | 34.2 (5) |
O9—Mo3—K1—Co2 | −133.2 (2) | K1ii—Mo1—O3—Co2 | −95.4 (3) |
O10—Mo3—K1—Co2 | 103.86 (16) | K2ii—Mo1—O3—Co2 | −97.3 (3) |
O11—Mo3—K1—Co2 | −142.6 (4) | O1—Mo1—O3—K1 | 0.0 (3) |
O12—Mo3—K1—Co2 | −14.60 (16) | O2—Mo1—O3—K1 | −117.2 (2) |
O9—Mo3—K1—Co1x | 42.6 (3) | O4—Mo1—O3—K1 | 120.6 (2) |
O10—Mo3—K1—Co1x | −80.31 (17) | K2i—Mo1—O3—K1 | −77.4 (3) |
O11—Mo3—K1—Co1x | 33.2 (4) | K1ii—Mo1—O3—K1 | 152.99 (11) |
O12—Mo3—K1—Co1x | 161.23 (17) | K2ii—Mo1—O3—K1 | 151.1 (2) |
O9—Mo3—K1—Mo1 | −73.8 (2) | O7v—Co2—O3—Mo1 | −134.8 (3) |
O10—Mo3—K1—Mo1 | 163.24 (16) | O11vi—Co2—O3—Mo1 | 130.6 (3) |
O11—Mo3—K1—Mo1 | −83.3 (4) | O8vi—Co2—O3—Mo1 | 44.3 (4) |
O12—Mo3—K1—Mo1 | 44.78 (16) | O12—Co2—O3—Mo1 | −41.4 (4) |
O9—Mo3—K1—Mo2vii | 147.2 (4) | O11v—Co2—O3—Mo1 | −38 (2) |
O10—Mo3—K1—Mo2vii | 24.3 (3) | K1—Co2—O3—Mo1 | −117.9 (4) |
O11—Mo3—K1—Mo2vii | 137.8 (4) | O7v—Co2—O3—K1 | −16.92 (19) |
O12—Mo3—K1—Mo2vii | −94.2 (3) | O11vi—Co2—O3—K1 | −111.51 (17) |
O1—Mo1—K1—O5vii | −110.6 (2) | O8vi—Co2—O3—K1 | 162.22 (16) |
O2—Mo1—K1—O5vii | 154.2 (2) | O12—Co2—O3—K1 | 76.56 (17) |
O3—Mo1—K1—O5vii | 69.4 (3) | O11v—Co2—O3—K1 | 80 (2) |
O4—Mo1—K1—O5vii | −13.1 (2) | O5vii—K1—O3—Mo1 | −110.7 (2) |
K2i—Mo1—K1—O5vii | −158.98 (12) | O7v—K1—O3—Mo1 | 145.5 (3) |
K1ii—Mo1—K1—O5vii | −39.87 (13) | O4viii—K1—O3—Mo1 | −41.0 (2) |
K2ii—Mo1—K1—O5vii | 37.47 (12) | O10ix—K1—O3—Mo1 | −85.1 (18) |
O1—Mo1—K1—O7v | 148.5 (2) | O9—K1—O3—Mo1 | 52.1 (2) |
O2—Mo1—K1—O7v | 53.3 (2) | O1—K1—O3—Mo1 | 0.02 (16) |
O3—Mo1—K1—O7v | −31.4 (2) | Co2—K1—O3—Mo1 | 132.0 (3) |
O4—Mo1—K1—O7v | −114.0 (2) | Co1x—K1—O3—Mo1 | −52.1 (3) |
K2i—Mo1—K1—O7v | 100.15 (11) | Mo3—K1—O3—Mo1 | 78.3 (2) |
K1ii—Mo1—K1—O7v | −140.74 (12) | Mo2vii—K1—O3—Mo1 | −114.16 (19) |
K2ii—Mo1—K1—O7v | −63.40 (11) | O5vii—K1—O3—Co2 | 117.33 (19) |
O1—Mo1—K1—O4viii | −38.6 (2) | O7v—K1—O3—Co2 | 13.51 (16) |
O2—Mo1—K1—O4viii | −133.8 (2) | O4viii—K1—O3—Co2 | −173.02 (17) |
O3—Mo1—K1—O4viii | 141.4 (2) | O10ix—K1—O3—Co2 | 142.9 (18) |
O4—Mo1—K1—O4viii | 58.8 (3) | O9—K1—O3—Co2 | −79.91 (18) |
K2i—Mo1—K1—O4viii | −87.01 (11) | O1—K1—O3—Co2 | −132.0 (2) |
K1ii—Mo1—K1—O4viii | 32.10 (12) | Co1x—K1—O3—Co2 | 175.88 (9) |
K2ii—Mo1—K1—O4viii | 109.44 (11) | Mo3—K1—O3—Co2 | −53.70 (14) |
O1—Mo1—K1—O3 | 180.0 (3) | Mo1—K1—O3—Co2 | −132.0 (3) |
O2—Mo1—K1—O3 | 84.8 (3) | Mo2vii—K1—O3—Co2 | 113.86 (14) |
O4—Mo1—K1—O3 | −82.6 (3) | O1—Mo1—O4—Co1viii | 25.8 (4) |
K2i—Mo1—K1—O3 | 131.6 (2) | O2—Mo1—O4—Co1viii | 145.8 (3) |
K1ii—Mo1—K1—O3 | −109.3 (2) | O3—Mo1—O4—Co1viii | −93.4 (3) |
K2ii—Mo1—K1—O3 | −32.0 (2) | K1—Mo1—O4—Co1viii | −45.7 (3) |
O1—Mo1—K1—O10ix | −10.6 (3) | K2i—Mo1—O4—Co1viii | 100.3 (3) |
O2—Mo1—K1—O10ix | −105.8 (3) | K1ii—Mo1—O4—Co1viii | 121.1 (4) |
O3—Mo1—K1—O10ix | 169.5 (3) | K2ii—Mo1—O4—Co1viii | −139.2 (4) |
O4—Mo1—K1—O10ix | 86.9 (3) | O1—Mo1—O4—K1ii | −95.2 (3) |
K2i—Mo1—K1—O10ix | −59.0 (2) | O2—Mo1—O4—K1ii | 24.7 (3) |
K1ii—Mo1—K1—O10ix | 60.2 (2) | O3—Mo1—O4—K1ii | 145.5 (2) |
K2ii—Mo1—K1—O10ix | 137.5 (2) | K1—Mo1—O4—K1ii | −166.76 (9) |
O1—Mo1—K1—O9 | 58.1 (2) | K2i—Mo1—O4—K1ii | −20.8 (2) |
O2—Mo1—K1—O9 | −37.1 (2) | K2ii—Mo1—O4—K1ii | 99.7 (2) |
O3—Mo1—K1—O9 | −121.9 (3) | O1—Mo1—O4—K2ii | 165.1 (2) |
O4—Mo1—K1—O9 | 155.5 (2) | O2—Mo1—O4—K2ii | −75.0 (2) |
K2i—Mo1—K1—O9 | 9.68 (12) | O3—Mo1—O4—K2ii | 45.8 (3) |
K1ii—Mo1—K1—O9 | 128.80 (13) | K1—Mo1—O4—K2ii | 93.56 (17) |
K2ii—Mo1—K1—O9 | −153.86 (12) | K2i—Mo1—O4—K2ii | −120.49 (16) |
O2—Mo1—K1—O1 | −95.2 (3) | K1ii—Mo1—O4—K2ii | −99.7 (2) |
O3—Mo1—K1—O1 | −180.0 (3) | O5—Mo2—O6—Co1 | −95.8 (4) |
O4—Mo1—K1—O1 | 97.5 (3) | O7—Mo2—O6—Co1 | 19.1 (5) |
K2i—Mo1—K1—O1 | −48.4 (2) | O8—Mo2—O6—Co1 | 144.7 (4) |
K1ii—Mo1—K1—O1 | 70.7 (2) | K2iii—Mo2—O6—Co1 | −96.0 (4) |
K2ii—Mo1—K1—O1 | 148.1 (2) | K1iv—Mo2—O6—Co1 | −107.4 (4) |
O1—Mo1—K1—Co2 | 149.4 (2) | K2i—Mo2—O6—Co1 | 173.5 (6) |
O2—Mo1—K1—Co2 | 54.20 (19) | O5—Mo2—O6—K2i | 90.7 (3) |
O3—Mo1—K1—Co2 | −30.6 (2) | O7—Mo2—O6—K2i | −154.3 (2) |
O4—Mo1—K1—Co2 | −113.13 (18) | O8—Mo2—O6—K2i | −28.7 (3) |
K2i—Mo1—K1—Co2 | 101.01 (4) | K2iii—Mo2—O6—K2i | 90.6 (2) |
K1ii—Mo1—K1—Co2 | −139.87 (7) | K1iv—Mo2—O6—K2i | 79.2 (3) |
K2ii—Mo1—K1—Co2 | −62.53 (4) | O2—Co1—O6—Mo2 | −168.2 (4) |
O1—Mo1—K1—Co1x | −35.7 (2) | O4ii—Co1—O6—Mo2 | 99.4 (4) |
O2—Mo1—K1—Co1x | −130.88 (19) | O10v—Co1—O6—Mo2 | 2.5 (4) |
O3—Mo1—K1—Co1x | 144.4 (2) | O8vi—Co1—O6—Mo2 | −57.2 (15) |
O4—Mo1—K1—Co1x | 61.79 (19) | O12—Co1—O6—Mo2 | −78.5 (4) |
K2i—Mo1—K1—Co1x | −84.07 (6) | K1iii—Co1—O6—Mo2 | 52.2 (4) |
K1ii—Mo1—K1—Co1x | 35.05 (8) | K2i—Co1—O6—Mo2 | −174.3 (5) |
K2ii—Mo1—K1—Co1x | 112.39 (6) | O2—Co1—O6—K2i | 6.0 (2) |
O1—Mo1—K1—Mo3 | 85.8 (2) | O4ii—Co1—O6—K2i | −86.30 (18) |
O2—Mo1—K1—Mo3 | −9.38 (19) | O10v—Co1—O6—K2i | 176.75 (17) |
O3—Mo1—K1—Mo3 | −94.1 (2) | O8vi—Co1—O6—K2i | 117.1 (13) |
O4—Mo1—K1—Mo3 | −176.71 (18) | O12—Co1—O6—K2i | 95.76 (18) |
K2i—Mo1—K1—Mo3 | 37.43 (4) | K1iii—Co1—O6—K2i | −133.50 (12) |
K1ii—Mo1—K1—Mo3 | 156.55 (6) | O6—Mo2—O5—K2iii | −0.2 (3) |
K2ii—Mo1—K1—Mo3 | −126.12 (4) | O7—Mo2—O5—K2iii | −119.6 (2) |
O1—Mo1—K1—Mo2vii | −103.5 (2) | O8—Mo2—O5—K2iii | 122.8 (2) |
O2—Mo1—K1—Mo2vii | 161.28 (19) | K1iv—Mo2—O5—K2iii | 168.7 (4) |
O3—Mo1—K1—Mo2vii | 76.5 (2) | K2i—Mo2—O5—K2iii | 38.9 (2) |
O4—Mo1—K1—Mo2vii | −6.05 (19) | O6—Mo2—O5—K1iv | −168.9 (2) |
K2i—Mo1—K1—Mo2vii | −151.91 (5) | O7—Mo2—O5—K1iv | 71.6 (3) |
K1ii—Mo1—K1—Mo2vii | −32.79 (8) | O8—Mo2—O5—K1iv | −45.9 (3) |
K2ii—Mo1—K1—Mo2vii | 44.55 (6) | K2iii—Mo2—O5—K1iv | −168.7 (4) |
O5vii—K1—K2—O1 | 79.5 (2) | K2i—Mo2—O5—K1iv | −129.9 (2) |
O7v—K1—K2—O1 | −68.2 (2) | O5—Mo2—O7—Co2v | −157.1 (3) |
O4viii—K1—K2—O1 | 103.3 (2) | O6—Mo2—O7—Co2v | 86.3 (3) |
O3—K1—K2—O1 | −7.68 (19) | O8—Mo2—O7—Co2v | −41.2 (3) |
O10ix—K1—K2—O1 | 167.47 (18) | K2iii—Mo2—O7—Co2v | 161.58 (18) |
O9—K1—K2—O1 | −83.4 (2) | K1iv—Mo2—O7—Co2v | −121.8 (3) |
Co2—K1—K2—O1 | −37.26 (16) | K2i—Mo2—O7—Co2v | 59.7 (4) |
Co1x—K1—K2—O1 | 136.79 (16) | O5—Mo2—O7—K1v | 25.9 (4) |
Mo3—K1—K2—O1 | −81.89 (15) | O6—Mo2—O7—K1v | −90.7 (4) |
Mo1—K1—K2—O1 | −4.69 (15) | O8—Mo2—O7—K1v | 141.9 (4) |
Mo2vii—K1—K2—O1 | 105.26 (16) | K2iii—Mo2—O7—K1v | −15.4 (5) |
O5vii—K1—K2—O5x | −129.1 (2) | K1iv—Mo2—O7—K1v | 61.2 (4) |
O7v—K1—K2—O5x | 83.2 (2) | K2i—Mo2—O7—K1v | −117.2 (3) |
O4viii—K1—K2—O5x | −105.31 (18) | O5—Mo2—O8—Co2xii | 164.3 (2) |
O3—K1—K2—O5x | 143.75 (16) | O6—Mo2—O8—Co2xii | −76.4 (3) |
O10ix—K1—K2—O5x | −41.10 (16) | O7—Mo2—O8—Co2xii | 50.1 (3) |
O9—K1—K2—O5x | 68.01 (19) | K2iii—Mo2—O8—Co2xii | −153.78 (15) |
O1—K1—K2—O5x | 151.4 (2) | K1iv—Mo2—O8—Co2xii | 138.0 (2) |
Co2—K1—K2—O5x | 114.17 (12) | K2i—Mo2—O8—Co2xii | −93.7 (2) |
Co1x—K1—K2—O5x | −71.78 (12) | O5—Mo2—O8—Co1xii | 13.6 (4) |
Mo3—K1—K2—O5x | 69.55 (12) | O6—Mo2—O8—Co1xii | 132.9 (3) |
Mo1—K1—K2—O5x | 146.75 (13) | O7—Mo2—O8—Co1xii | −100.6 (4) |
Mo2vii—K1—K2—O5x | −103.30 (13) | K2iii—Mo2—O8—Co1xii | 55.5 (4) |
O5vii—K1—K2—O2xi | −160.5 (4) | K1iv—Mo2—O8—Co1xii | −12.7 (3) |
O7v—K1—K2—O2xi | 51.8 (4) | K2i—Mo2—O8—Co1xii | 115.6 (3) |
O4viii—K1—K2—O2xi | −136.7 (4) | O10—Mo3—O9—K1 | 57.1 (2) |
O3—K1—K2—O2xi | 112.3 (4) | O11—Mo3—O9—K1 | 176.44 (18) |
O10ix—K1—K2—O2xi | −72.5 (4) | O12—Mo3—O9—K1 | −64.5 (3) |
O9—K1—K2—O2xi | 36.6 (4) | O10—Mo3—O9—K2 | −143.9 (18) |
O1—K1—K2—O2xi | 120.0 (4) | O11—Mo3—O9—K2 | −24.5 (19) |
Co2—K1—K2—O2xi | 82.8 (4) | O12—Mo3—O9—K2 | 94.5 (18) |
Co1x—K1—K2—O2xi | −103.2 (4) | K1—Mo3—O9—K2 | 159 (2) |
Mo3—K1—K2—O2xi | 38.1 (4) | O5vii—K1—O9—Mo3 | 129.6 (4) |
Mo1—K1—K2—O2xi | 115.3 (4) | O7v—K1—O9—Mo3 | 7.1 (2) |
Mo2vii—K1—K2—O2xi | −134.7 (4) | O4viii—K1—O9—Mo3 | −178.3 (2) |
O5vii—K1—K2—O6xi | 74.7 (2) | O3—K1—O9—Mo3 | 73.8 (2) |
O7v—K1—K2—O6xi | −73.0 (2) | O10ix—K1—O9—Mo3 | −109.5 (2) |
O4viii—K1—K2—O6xi | 98.5 (2) | O1—K1—O9—Mo3 | 124.7 (3) |
O3—K1—K2—O6xi | −12.44 (19) | Co2—K1—O9—Mo3 | 39.5 (2) |
O10ix—K1—K2—O6xi | 162.70 (18) | Co1x—K1—O9—Mo3 | −145.3 (2) |
O9—K1—K2—O6xi | −88.2 (2) | Mo1—K1—O9—Mo3 | 96.4 (2) |
O1—K1—K2—O6xi | −4.76 (19) | Mo2vii—K1—O9—Mo3 | −156.2 (3) |
Co2—K1—K2—O6xi | −42.02 (17) | O5vii—K1—O9—K2 | −47.1 (5) |
Co1x—K1—K2—O6xi | 132.03 (16) | O7v—K1—O9—K2 | −169.57 (15) |
Mo3—K1—K2—O6xi | −86.65 (16) | O4viii—K1—O9—K2 | 5.00 (16) |
Mo1—K1—K2—O6xi | −9.45 (15) | O3—K1—O9—K2 | −102.86 (16) |
Mo2vii—K1—K2—O6xi | 100.50 (16) | O10ix—K1—O9—K2 | 73.79 (16) |
O5vii—K1—K2—O9 | 162.9 (2) | O1—K1—O9—K2 | −51.97 (14) |
O7v—K1—K2—O9 | 15.2 (2) | Co2—K1—O9—K2 | −137.21 (13) |
O4viii—K1—K2—O9 | −173.3 (2) | Co1x—K1—O9—K2 | 38.01 (14) |
O3—K1—K2—O9 | 75.75 (19) | Mo3—K1—O9—K2 | −176.7 (3) |
O10ix—K1—K2—O9 | −109.10 (19) | Mo1—K1—O9—K2 | −80.30 (11) |
O1—K1—K2—O9 | 83.4 (2) | Mo2vii—K1—O9—K2 | 27.1 (5) |
Co2—K1—K2—O9 | 46.17 (16) | O1—K2—O9—Mo3 | −91.4 (18) |
Co1x—K1—K2—O9 | −139.78 (16) | O5x—K2—O9—Mo3 | 93.9 (18) |
Mo3—K1—K2—O9 | 1.54 (15) | O2xi—K2—O9—Mo3 | 33.7 (19) |
Mo1—K1—K2—O9 | 78.74 (16) | O6xi—K2—O9—Mo3 | −38.9 (19) |
Mo2vii—K1—K2—O9 | −171.31 (17) | O4viii—K2—O9—Mo3 | −164.1 (18) |
O5vii—K1—K2—O4viii | −23.79 (18) | Mo2x—K2—O9—Mo3 | 116.5 (18) |
O7v—K1—K2—O4viii | −171.5 (2) | Co1xi—K2—O9—Mo3 | −2.5 (19) |
O3—K1—K2—O4viii | −110.94 (16) | Mo1xi—K2—O9—Mo3 | 61.6 (19) |
O10ix—K1—K2—O4viii | 64.21 (16) | K1—K2—O9—Mo3 | −159.5 (19) |
O9—K1—K2—O4viii | 173.3 (2) | Mo2xi—K2—O9—Mo3 | −62.3 (18) |
O1—K1—K2—O4viii | −103.3 (2) | Mo1viii—K2—O9—Mo3 | −143.1 (18) |
Co2—K1—K2—O4viii | −140.52 (14) | O1—K2—O9—K1 | 68.14 (18) |
Co1x—K1—K2—O4viii | 33.53 (13) | O5x—K2—O9—K1 | −106.59 (17) |
Mo3—K1—K2—O4viii | 174.86 (14) | O2xi—K2—O9—K1 | −166.75 (14) |
Mo1—K1—K2—O4viii | −107.94 (13) | O6xi—K2—O9—K1 | 120.67 (15) |
Mo2vii—K1—K2—O4viii | 2.01 (13) | O4viii—K2—O9—K1 | −4.58 (14) |
O5vii—K1—K2—Mo2x | −105.69 (13) | Mo2x—K2—O9—K1 | −83.97 (11) |
O7v—K1—K2—Mo2x | 106.63 (17) | Co1xi—K2—O9—K1 | 157.01 (9) |
O4viii—K1—K2—Mo2x | −81.91 (13) | Mo1xi—K2—O9—K1 | −138.86 (10) |
O3—K1—K2—Mo2x | 167.16 (11) | Mo2xi—K2—O9—K1 | 97.28 (12) |
O10ix—K1—K2—Mo2x | −17.70 (10) | Mo1viii—K2—O9—K1 | 16.44 (14) |
O9—K1—K2—Mo2x | 91.41 (16) | O9—Mo3—O10—Co1v | 171.5 (3) |
O1—K1—K2—Mo2x | 174.84 (16) | O11—Mo3—O10—Co1v | 54.1 (3) |
Co2—K1—K2—Mo2x | 137.58 (5) | O12—Mo3—O10—Co1v | −73.1 (3) |
Co1x—K1—K2—Mo2x | −48.37 (4) | K1—Mo3—O10—Co1v | −146.6 (3) |
Mo3—K1—K2—Mo2x | 92.95 (4) | O9—Mo3—O10—K1ix | 36.1 (4) |
Mo1—K1—K2—Mo2x | 170.15 (6) | O11—Mo3—O10—K1ix | −81.2 (3) |
Mo2vii—K1—K2—Mo2x | −79.90 (6) | O12—Mo3—O10—K1ix | 151.6 (3) |
O5vii—K1—K2—Co1xi | 105.8 (2) | K1—Mo3—O10—K1ix | 78.1 (3) |
O7v—K1—K2—Co1xi | −41.9 (3) | O9—Mo3—O11—Co2xii | −29.4 (5) |
O4viii—K1—K2—Co1xi | 129.6 (2) | O10—Mo3—O11—Co2xii | 85.3 (4) |
O3—K1—K2—Co1xi | 18.7 (2) | O12—Mo3—O11—Co2xii | −145.3 (4) |
O10ix—K1—K2—Co1xi | −166.19 (19) | K1—Mo3—O11—Co2xii | −21.7 (7) |
O9—K1—K2—Co1xi | −57.1 (2) | O9—Mo3—O11—Co2v | −165.3 (2) |
O1—K1—K2—Co1xi | 26.3 (2) | O10—Mo3—O11—Co2v | −50.6 (3) |
Co2—K1—K2—Co1xi | −10.9 (2) | O12—Mo3—O11—Co2v | 78.8 (3) |
Co1x—K1—K2—Co1xi | 163.13 (18) | K1—Mo3—O11—Co2v | −157.6 (2) |
Mo3—K1—K2—Co1xi | −55.54 (18) | O9—Mo3—O12—Co2 | 73.7 (4) |
Mo1—K1—K2—Co1xi | 21.66 (17) | O10—Mo3—O12—Co2 | −40.9 (4) |
Mo2vii—K1—K2—Co1xi | 131.61 (16) | O11—Mo3—O12—Co2 | −168.6 (3) |
O5vii—K1—K2—Mo1xi | −109.09 (18) | K1—Mo3—O12—Co2 | 29.0 (3) |
O7v—K1—K2—Mo1xi | 103.2 (2) | O9—Mo3—O12—Co1 | −85.1 (4) |
O4viii—K1—K2—Mo1xi | −85.31 (19) | O10—Mo3—O12—Co1 | 160.3 (3) |
O3—K1—K2—Mo1xi | 163.75 (16) | O11—Mo3—O12—Co1 | 32.6 (4) |
O10ix—K1—K2—Mo1xi | −21.10 (17) | K1—Mo3—O12—Co1 | −129.9 (3) |
O9—K1—K2—Mo1xi | 88.0 (2) | O3—Co2—O12—Mo3 | −80.0 (4) |
O1—K1—K2—Mo1xi | 171.4 (2) | O7v—Co2—O12—Mo3 | 17.9 (4) |
Co2—K1—K2—Mo1xi | 134.17 (13) | O11vi—Co2—O12—Mo3 | 126.4 (5) |
Co1x—K1—K2—Mo1xi | −51.78 (13) | O8vi—Co2—O12—Mo3 | −173.5 (4) |
Mo3—K1—K2—Mo1xi | 89.55 (14) | O11v—Co2—O12—Mo3 | 100.3 (3) |
Mo1—K1—K2—Mo1xi | 166.75 (15) | K1—Co2—O12—Mo3 | −30.1 (3) |
Mo2vii—K1—K2—Mo1xi | −83.30 (15) | O3—Co2—O12—Co1 | 84.5 (2) |
O5vii—K1—K2—Mo2xi | 64.07 (14) | O7v—Co2—O12—Co1 | −177.60 (18) |
O7v—K1—K2—Mo2xi | −83.61 (17) | O11vi—Co2—O12—Co1 | −69.1 (6) |
O4viii—K1—K2—Mo2xi | 87.86 (14) | O8vi—Co2—O12—Co1 | −8.98 (18) |
O3—K1—K2—Mo2xi | −23.08 (12) | O11v—Co2—O12—Co1 | −95.16 (18) |
O10ix—K1—K2—Mo2xi | 152.07 (11) | K1—Co2—O12—Co1 | 134.43 (16) |
O9—K1—K2—Mo2xi | −98.83 (16) | O2—Co1—O12—Mo3 | 83.5 (4) |
O1—K1—K2—Mo2xi | −15.40 (14) | O4ii—Co1—O12—Mo3 | −166.4 (19) |
Co2—K1—K2—Mo2xi | −52.66 (8) | O6—Co1—O12—Mo3 | −10.1 (4) |
Co1x—K1—K2—Mo2xi | 121.39 (7) | O10v—Co1—O12—Mo3 | −100.3 (4) |
Mo3—K1—K2—Mo2xi | −97.28 (6) | O8vi—Co1—O12—Mo3 | 172.9 (4) |
Mo1—K1—K2—Mo2xi | −20.08 (5) | K1iii—Co1—O12—Mo3 | −115.8 (3) |
Mo2vii—K1—K2—Mo2xi | 89.87 (7) | K2i—Co1—O12—Mo3 | 37.7 (3) |
O5vii—K1—K2—Mo1viii | 1.78 (12) | O2—Co1—O12—Co2 | −80.6 (2) |
O7v—K1—K2—Mo1viii | −145.90 (17) | O4ii—Co1—O12—Co2 | 29 (2) |
O4viii—K1—K2—Mo1viii | 25.57 (13) | O6—Co1—O12—Co2 | −174.26 (19) |
O3—K1—K2—Mo1viii | −85.37 (11) | O10v—Co1—O12—Co2 | 95.5 (2) |
O10ix—K1—K2—Mo1viii | 89.78 (10) | O8vi—Co1—O12—Co2 | 8.72 (18) |
O9—K1—K2—Mo1viii | −161.12 (16) | K1iii—Co1—O12—Co2 | 80.1 (2) |
O1—K1—K2—Mo1viii | −77.69 (15) | K2i—Co1—O12—Co2 | −126.50 (14) |
Symmetry codes: (i) −x+1, y+1/2, −z+1/2; (ii) −x, y+1/2, −z+1/2; (iii) x, y+1, z; (iv) x+1, y+1, z; (v) −x+1, −y+1, −z+1; (vi) x−1, y, z; (vii) x−1, y−1, z; (viii) −x, y−1/2, −z+1/2; (ix) −x+1, −y, −z+1; (x) x, y−1, z; (xi) −x+1, y−1/2, −z+1/2; (xii) x+1, y, z. |
Crystal data top
Co2K2Mo3O12 | F(000) = 2512 |
Mr = 675.88 | Dx = 3.754 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
a = 7.0418 (3) Å | Cell parameters from 4486 reflections |
b = 19.3329 (7) Å | θ = 2.3–29.2° |
c = 17.7267 (7) Å | µ = 6.53 mm−1 |
β = 97.608 (4)° | T = 298 K |
V = 2392.04 (16) Å3 | Needle, blue |
Z = 8 | 0.12 × 0.04 × 0.03 mm |
Data collection top
Oxford Diffraction Xcalibur (TM) Single Crystal X-ray Diffractometer
with Sapphire CCD Detector. | 3025 independent reflections |
Radiation source: Enhance (Mo) X-ray Source | 1739 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.071 |
Detector resolution: 8.4012 pixels mm-1 | θmax = 29.2°, θmin = 2.3° |
Rotation method data acquisition using ω and phi scans. | h = −9→9 |
Absorption correction: analytical CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.4 (release 06-08-2006 CrysAlis171 .NET)
(compiled Aug 6 2006,16:44:45)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) | k = −25→26 |
Tmin = 0.509, Tmax = 0.871 | l = −23→24 |
15336 measured reflections | |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Primary atom site location: structure-invariant direct methods |
R[F2 > 2σ(F2)] = 0.038 | Secondary atom site location: difference Fourier map |
wR(F2) = 0.121 | w = 1/[σ2(Fo2) + (0.0529P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.05 | (Δ/σ)max < 0.001 |
3025 reflections | Δρmax = 1.76 e Å−3 |
178 parameters | Δρmin = −1.78 e Å−3 |
Crystal data top
Co2K2Mo3O12 | V = 2392.04 (16) Å3 |
Mr = 675.88 | Z = 8 |
Monoclinic, C2/c | Mo Kα radiation |
a = 7.0418 (3) Å | µ = 6.53 mm−1 |
b = 19.3329 (7) Å | T = 298 K |
c = 17.7267 (7) Å | 0.12 × 0.04 × 0.03 mm |
β = 97.608 (4)° | |
Data collection top
Oxford Diffraction Xcalibur (TM) Single Crystal X-ray Diffractometer
with Sapphire CCD Detector. | 3025 independent reflections |
Absorption correction: analytical CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.4 (release 06-08-2006 CrysAlis171 .NET)
(compiled Aug 6 2006,16:44:45)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) | 1739 reflections with I > 2σ(I) |
Tmin = 0.509, Tmax = 0.871 | Rint = 0.071 |
15336 measured reflections | |
Refinement top
R[F2 > 2σ(F2)] = 0.038 | 178 parameters |
wR(F2) = 0.121 | 0 restraints |
S = 1.05 | Δρmax = 1.76 e Å−3 |
3025 reflections | Δρmin = −1.78 e Å−3 |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Mo1 | 0.44455 (12) | 0.54543 (4) | 0.36986 (5) | 0.0130 (2) | |
Mo2 | −0.12869 (12) | 0.63426 (5) | 0.59743 (5) | 0.0146 (2) | |
Mo3 | 0.09676 (12) | 0.72629 (4) | 0.41307 (5) | 0.0132 (2) | |
Co1 | 0.34851 (18) | 0.60621 (7) | 0.54411 (7) | 0.0138 (3) | |
Co2 | 0.60605 (18) | 0.69965 (7) | 0.44820 (7) | 0.0139 (3) | |
K1 | 0.5000 | 0.39013 (19) | 0.2500 | 0.0359 (10) | |
K2 | −0.0624 (4) | 0.53650 (13) | 0.35597 (17) | 0.0360 (7) | |
K3 | 0.6121 (9) | 0.6985 (3) | 0.2478 (3) | 0.048 (2) | 0.532 (9) |
O1 | 0.2949 (10) | 0.5470 (4) | 0.2850 (4) | 0.0207 (16) | |
O2 | 0.3062 (10) | 0.5473 (3) | 0.4456 (4) | 0.0189 (16) | |
O3 | 0.5938 (10) | 0.6206 (3) | 0.3720 (4) | 0.0195 (16) | |
O4 | 0.5915 (9) | 0.4704 (3) | 0.3759 (4) | 0.0154 (16) | |
O5 | −0.1570 (11) | 0.5871 (4) | 0.6769 (4) | 0.0280 (18) | |
O6 | 0.0602 (9) | 0.5976 (4) | 0.5559 (4) | 0.0214 (17) | |
O7 | −0.0766 (9) | 0.7209 (4) | 0.6286 (4) | 0.0185 (16) | |
O8 | −0.3549 (9) | 0.6278 (3) | 0.5362 (4) | 0.0151 (15) | |
O9 | 0.0419 (12) | 0.6736 (4) | 0.3378 (4) | 0.034 (2) | |
O10 | 0.1213 (9) | 0.8099 (3) | 0.3751 (4) | 0.0177 (16) | |
O11 | −0.0987 (9) | 0.7202 (3) | 0.4664 (4) | 0.0145 (15) | |
O12 | 0.3185 (9) | 0.6925 (3) | 0.4651 (4) | 0.0153 (15) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Mo1 | 0.0126 (5) | 0.0095 (4) | 0.0165 (4) | −0.0004 (4) | 0.0007 (4) | 0.0004 (4) |
Mo2 | 0.0123 (5) | 0.0118 (5) | 0.0191 (4) | 0.0006 (4) | 0.0002 (4) | 0.0023 (4) |
Mo3 | 0.0127 (5) | 0.0101 (5) | 0.0167 (4) | 0.0003 (4) | 0.0011 (4) | 0.0014 (4) |
Co1 | 0.0131 (7) | 0.0105 (7) | 0.0178 (7) | −0.0002 (6) | 0.0022 (6) | 0.0017 (6) |
Co2 | 0.0123 (7) | 0.0110 (7) | 0.0183 (7) | −0.0007 (6) | 0.0023 (6) | 0.0000 (6) |
K1 | 0.058 (3) | 0.031 (2) | 0.0187 (17) | 0.000 | 0.0042 (18) | 0.000 |
K2 | 0.0162 (13) | 0.0261 (15) | 0.0646 (19) | −0.0006 (11) | 0.0012 (13) | 0.0067 (14) |
K3 | 0.084 (5) | 0.034 (4) | 0.023 (3) | 0.004 (3) | 0.004 (3) | −0.003 (2) |
O1 | 0.019 (4) | 0.023 (4) | 0.018 (4) | 0.001 (3) | −0.003 (3) | 0.005 (3) |
O2 | 0.018 (4) | 0.009 (4) | 0.030 (4) | −0.007 (3) | 0.005 (3) | −0.004 (3) |
O3 | 0.022 (4) | 0.014 (4) | 0.022 (4) | −0.012 (3) | 0.003 (3) | −0.001 (3) |
O4 | 0.014 (4) | 0.017 (4) | 0.016 (3) | 0.001 (3) | 0.007 (3) | −0.001 (3) |
O5 | 0.034 (5) | 0.018 (4) | 0.030 (4) | −0.003 (4) | −0.004 (4) | 0.004 (3) |
O6 | 0.013 (4) | 0.019 (4) | 0.034 (4) | −0.006 (3) | 0.007 (3) | −0.002 (3) |
O7 | 0.019 (4) | 0.017 (4) | 0.020 (4) | −0.009 (3) | 0.002 (3) | −0.003 (3) |
O8 | 0.008 (3) | 0.015 (4) | 0.023 (4) | −0.001 (3) | 0.004 (3) | 0.005 (3) |
O9 | 0.047 (5) | 0.024 (5) | 0.028 (4) | −0.005 (4) | −0.006 (4) | 0.000 (4) |
O10 | 0.021 (4) | 0.014 (4) | 0.018 (3) | −0.003 (3) | 0.001 (3) | 0.001 (3) |
O11 | 0.009 (3) | 0.012 (4) | 0.022 (3) | 0.001 (3) | −0.003 (3) | 0.000 (3) |
O12 | 0.012 (4) | 0.013 (4) | 0.023 (4) | 0.003 (3) | 0.012 (3) | 0.004 (3) |
Geometric parameters (Å, º) top
Mo1—O1 | 1.718 (7) | K1—Mo1ii | 3.729 (3) |
Mo1—O2 | 1.761 (7) | K1—Mo2iii | 4.0306 (10) |
Mo1—O4 | 1.776 (7) | K1—Mo2viii | 4.0306 (10) |
Mo1—O3 | 1.791 (6) | K2—O9 | 2.781 (8) |
Mo1—K2i | 3.517 (3) | K2—O1x | 2.808 (7) |
Mo1—K2 | 3.550 (3) | K2—O4xi | 2.815 (7) |
Mo1—K3ii | 3.612 (5) | K2—O2 | 2.866 (8) |
Mo1—K1 | 3.729 (3) | K2—O5iii | 2.946 (8) |
Mo1—K3 | 3.937 (6) | K2—O3xi | 2.961 (8) |
Mo2—O5 | 1.712 (7) | K2—O1 | 2.965 (7) |
Mo2—O6 | 1.753 (7) | K2—O6iii | 3.026 (7) |
Mo2—O7 | 1.786 (7) | K2—Mo1xi | 3.517 (3) |
Mo2—O8 | 1.810 (6) | K2—Mo2iii | 3.619 (3) |
Mo2—K2iii | 3.619 (3) | K3—K3ii | 1.590 (13) |
Mo2—K1iii | 4.0306 (10) | K3—O3 | 2.684 (8) |
Mo3—O9 | 1.683 (7) | K3—O7v | 2.727 (8) |
Mo3—O10 | 1.768 (7) | K3—O7xii | 2.814 (9) |
Mo3—O11 | 1.774 (7) | K3—O3ii | 2.840 (9) |
Mo3—O12 | 1.826 (7) | K3—O9ii | 3.074 (10) |
Mo3—K3ii | 3.766 (6) | K3—O1ii | 3.074 (9) |
Mo3—K2 | 3.930 (3) | K3—O9i | 3.264 (10) |
Co1—O4iv | 2.056 (7) | K3—Co2ii | 3.609 (5) |
Co1—O2 | 2.073 (7) | K3—Mo1ii | 3.612 (5) |
Co1—O6 | 2.075 (7) | K3—Mo3ii | 3.766 (6) |
Co1—O8i | 2.153 (6) | O1—K2x | 2.808 (7) |
Co1—O10v | 2.155 (7) | O1—K3ii | 3.074 (9) |
Co1—O12 | 2.170 (6) | O3—K3ii | 2.840 (9) |
Co1—K1iv | 3.6651 (13) | O3—K2i | 2.961 (8) |
Co1—K2iii | 3.969 (3) | O4—Co1iv | 2.056 (7) |
Co2—O3 | 2.033 (7) | O4—K2i | 2.815 (7) |
Co2—O7v | 2.046 (7) | O5—K1iii | 2.921 (8) |
Co2—O8i | 2.080 (6) | O5—K2iii | 2.946 (8) |
Co2—O12 | 2.091 (6) | O6—K2iii | 3.026 (7) |
Co2—O11i | 2.099 (6) | O7—Co2v | 2.046 (7) |
Co2—O11v | 2.172 (7) | O7—K3v | 2.727 (8) |
Co2—K3 | 3.558 (5) | O7—K3xiii | 2.814 (9) |
Co2—K3ii | 3.609 (5) | O8—Co2xi | 2.080 (6) |
K1—O4 | 2.725 (7) | O8—Co1xi | 2.153 (6) |
K1—O4ii | 2.725 (7) | O9—K3ii | 3.074 (10) |
K1—O10vi | 2.748 (7) | O9—K3xi | 3.264 (10) |
K1—O10vii | 2.748 (7) | O10—Co1v | 2.155 (7) |
K1—O5iii | 2.921 (8) | O10—K1xiv | 2.748 (7) |
K1—O5viii | 2.921 (8) | O11—Co2xi | 2.099 (6) |
K1—Co1iv | 3.6651 (13) | O11—Co2v | 2.172 (6) |
K1—Co1ix | 3.6651 (13) | | |
| | | |
O1—Mo1—O2 | 109.3 (3) | O9—K2—O1x | 87.7 (2) |
O1—Mo1—O4 | 110.6 (3) | O9—K2—O4xi | 133.9 (2) |
O2—Mo1—O4 | 110.3 (3) | O1x—K2—O4xi | 74.4 (2) |
O1—Mo1—O3 | 107.1 (3) | O9—K2—O2 | 76.2 (2) |
O2—Mo1—O3 | 110.5 (3) | O1x—K2—O2 | 150.1 (2) |
O4—Mo1—O3 | 109.0 (3) | O4xi—K2—O2 | 134.4 (2) |
O1—Mo1—K2i | 115.9 (2) | O9—K2—O5iii | 126.7 (2) |
O2—Mo1—K2i | 134.9 (2) | O1x—K2—O5iii | 98.1 (2) |
O4—Mo1—K2i | 52.5 (2) | O4xi—K2—O5iii | 98.2 (2) |
O3—Mo1—K2i | 57.3 (2) | O2—K2—O5iii | 73.1 (2) |
O1—Mo1—K2 | 56.3 (2) | O9—K2—O3xi | 73.7 (2) |
O2—Mo1—K2 | 53.2 (2) | O1x—K2—O3xi | 70.0 (2) |
O4—Mo1—K2 | 122.5 (2) | O4xi—K2—O3xi | 60.32 (19) |
O3—Mo1—K2 | 128.5 (2) | O2—K2—O3xi | 126.8 (2) |
K2i—Mo1—K2 | 170.29 (10) | O5iii—K2—O3xi | 157.1 (2) |
O1—Mo1—K3ii | 58.2 (2) | O9—K2—O1 | 68.5 (2) |
O2—Mo1—K3ii | 113.2 (2) | O1x—K2—O1 | 92.6 (2) |
O4—Mo1—K3ii | 136.2 (2) | O4xi—K2—O1 | 151.8 (2) |
O3—Mo1—K3ii | 50.7 (2) | O2—K2—O1 | 58.20 (19) |
K2i—Mo1—K3ii | 91.96 (11) | O5iii—K2—O1 | 58.3 (2) |
K2—Mo1—K3ii | 88.09 (11) | O3xi—K2—O1 | 138.9 (2) |
O1—Mo1—K1 | 67.3 (2) | O9—K2—O6iii | 153.3 (2) |
O2—Mo1—K1 | 124.1 (2) | O1x—K2—O6iii | 118.9 (2) |
O4—Mo1—K1 | 43.3 (2) | O4xi—K2—O6iii | 59.45 (19) |
O3—Mo1—K1 | 124.1 (2) | O2—K2—O6iii | 80.43 (19) |
K2i—Mo1—K1 | 75.03 (5) | O5iii—K2—O6iii | 56.0 (2) |
K2—Mo1—K1 | 95.83 (5) | O3xi—K2—O6iii | 111.7 (2) |
K3ii—Mo1—K1 | 110.02 (9) | O1—K2—O6iii | 109.3 (2) |
O1—Mo1—K3 | 72.5 (2) | O9—K2—Mo1xi | 103.86 (19) |
O2—Mo1—K3 | 129.8 (2) | O1x—K2—Mo1xi | 66.06 (15) |
O4—Mo1—K3 | 115.6 (2) | O4xi—K2—Mo1xi | 30.05 (14) |
O3—Mo1—K3 | 35.3 (2) | O2—K2—Mo1xi | 141.96 (18) |
K2i—Mo1—K3 | 68.17 (10) | O5iii—K2—Mo1xi | 127.02 (17) |
K2—Mo1—K3 | 111.72 (10) | O3xi—K2—Mo1xi | 30.59 (13) |
K3ii—Mo1—K3 | 23.82 (19) | O1—K2—Mo1xi | 158.03 (16) |
K1—Mo1—K3 | 103.33 (8) | O6iii—K2—Mo1xi | 86.76 (14) |
O5—Mo2—O6 | 107.9 (4) | O9—K2—Mo1 | 71.53 (18) |
O5—Mo2—O7 | 106.6 (3) | O1x—K2—Mo1 | 121.38 (17) |
O6—Mo2—O7 | 111.9 (3) | O4xi—K2—Mo1 | 153.23 (16) |
O5—Mo2—O8 | 105.5 (3) | O2—K2—Mo1 | 29.47 (14) |
O6—Mo2—O8 | 112.1 (3) | O5iii—K2—Mo1 | 60.28 (15) |
O7—Mo2—O8 | 112.3 (3) | O3xi—K2—Mo1 | 142.56 (15) |
O5—Mo2—K2iii | 53.6 (3) | O1—K2—Mo1 | 28.84 (13) |
O6—Mo2—K2iii | 56.4 (2) | O6iii—K2—Mo1 | 93.99 (14) |
O7—Mo2—K2iii | 136.9 (2) | Mo1xi—K2—Mo1 | 170.29 (10) |
O8—Mo2—K2iii | 110.2 (2) | O9—K2—Mo2iii | 143.15 (19) |
O5—Mo2—K1iii | 39.5 (3) | O1x—K2—Mo2iii | 115.10 (16) |
O6—Mo2—K1iii | 146.1 (2) | O4xi—K2—Mo2iii | 81.92 (15) |
O7—Mo2—K1iii | 91.6 (2) | O2—K2—Mo2iii | 69.98 (14) |
O8—Mo2—K1iii | 78.3 (2) | O5iii—K2—Mo2iii | 27.90 (14) |
K2iii—Mo2—K1iii | 89.70 (7) | O3xi—K2—Mo2iii | 139.74 (15) |
O9—Mo3—O10 | 105.9 (3) | O1—K2—Mo2iii | 81.27 (14) |
O9—Mo3—O11 | 105.7 (4) | O6iii—K2—Mo2iii | 28.87 (13) |
O10—Mo3—O11 | 112.7 (3) | Mo1xi—K2—Mo2iii | 111.68 (7) |
O9—Mo3—O12 | 106.0 (3) | Mo1—K2—Mo2iii | 71.85 (5) |
O10—Mo3—O12 | 113.5 (3) | O9—K2—Mo3 | 21.44 (15) |
O11—Mo3—O12 | 112.2 (3) | O1x—K2—Mo3 | 105.95 (16) |
O9—Mo3—K3ii | 53.4 (3) | O4xi—K2—Mo3 | 127.84 (16) |
O10—Mo3—K3ii | 75.6 (2) | O2—K2—Mo3 | 65.35 (14) |
O11—Mo3—K3ii | 158.9 (2) | O5iii—K2—Mo3 | 132.02 (17) |
O12—Mo3—K3ii | 79.5 (2) | O3xi—K2—Mo3 | 70.81 (14) |
O9—Mo3—K2 | 37.2 (3) | O1—K2—Mo3 | 79.42 (15) |
O10—Mo3—K2 | 142.6 (2) | O6iii—K2—Mo3 | 133.26 (16) |
O11—Mo3—K2 | 82.0 (2) | Mo1xi—K2—Mo3 | 100.75 (7) |
O12—Mo3—K2 | 89.5 (2) | Mo1—K2—Mo3 | 71.75 (5) |
K3ii—Mo3—K2 | 80.61 (9) | Mo2iii—K2—Mo3 | 135.09 (8) |
O4iv—Co1—O2 | 100.3 (3) | K3ii—K3—O3 | 78.8 (3) |
O4iv—Co1—O6 | 89.3 (3) | K3ii—K3—O7v | 76.4 (3) |
O2—Co1—O6 | 90.4 (3) | O3—K3—O7v | 69.1 (2) |
O4iv—Co1—O8i | 94.1 (3) | K3ii—K3—O7xii | 70.3 (3) |
O2—Co1—O8i | 94.8 (3) | O3—K3—O7xii | 149.1 (3) |
O6—Co1—O8i | 173.1 (3) | O7v—K3—O7xii | 101.7 (3) |
O4iv—Co1—O10v | 95.2 (3) | K3ii—K3—O3ii | 67.9 (3) |
O2—Co1—O10v | 164.5 (3) | O3—K3—O3ii | 104.0 (3) |
O6—Co1—O10v | 90.3 (3) | O7v—K3—O3ii | 144.3 (3) |
O8i—Co1—O10v | 83.5 (3) | O7xii—K3—O3ii | 65.7 (2) |
O4iv—Co1—O12 | 173.0 (3) | K3ii—K3—O9ii | 151.7 (4) |
O2—Co1—O12 | 83.6 (3) | O3—K3—O9ii | 116.4 (3) |
O6—Co1—O12 | 96.5 (3) | O7v—K3—O9ii | 130.4 (3) |
O8i—Co1—O12 | 79.7 (2) | O7xii—K3—O9ii | 92.4 (2) |
O10v—Co1—O12 | 80.9 (3) | O3ii—K3—O9ii | 84.7 (2) |
O4iv—Co1—K1iv | 47.22 (19) | K3ii—K3—O1ii | 104.3 (2) |
O2—Co1—K1iv | 147.1 (2) | O3—K3—O1ii | 69.9 (2) |
O6—Co1—K1iv | 93.49 (19) | O7v—K3—O1ii | 137.9 (3) |
O8i—Co1—K1iv | 84.51 (17) | O7xii—K3—O1ii | 118.5 (3) |
O10v—Co1—K1iv | 48.23 (18) | O3ii—K3—O1ii | 56.9 (2) |
O12—Co1—K1iv | 128.18 (19) | O9ii—K3—O1ii | 63.6 (2) |
O4iv—Co1—K2iii | 42.38 (19) | K3ii—K3—O9i | 147.0 (4) |
O2—Co1—K2iii | 88.22 (19) | O3—K3—O9i | 70.1 (2) |
O6—Co1—K2iii | 48.6 (2) | O7v—K3—O9i | 82.5 (2) |
O8i—Co1—K2iii | 135.89 (18) | O7xii—K3—O9i | 139.7 (3) |
O10v—Co1—K2iii | 103.75 (18) | O3ii—K3—O9i | 129.5 (3) |
O12—Co1—K2iii | 144.13 (18) | O9ii—K3—O9i | 58.2 (3) |
K1iv—Co1—K2iii | 70.55 (6) | O1ii—K3—O9i | 75.2 (2) |
O3—Co2—O7v | 97.5 (3) | K3ii—K3—Co2 | 79.0 (3) |
O3—Co2—O8i | 89.2 (3) | O3—K3—Co2 | 34.57 (15) |
O7v—Co2—O8i | 173.2 (3) | O7v—K3—Co2 | 34.92 (15) |
O3—Co2—O12 | 95.1 (3) | O7xii—K3—Co2 | 132.8 (2) |
O7v—Co2—O12 | 97.5 (3) | O3ii—K3—Co2 | 132.7 (2) |
O8i—Co2—O12 | 83.3 (2) | O9ii—K3—Co2 | 127.5 (2) |
O3—Co2—O11i | 101.4 (3) | O1ii—K3—Co2 | 103.09 (19) |
O7v—Co2—O11i | 88.4 (3) | O9i—K3—Co2 | 69.29 (17) |
O8i—Co2—O11i | 88.9 (2) | K3ii—K3—Co2ii | 75.4 (4) |
O12—Co2—O11i | 161.6 (3) | O3—K3—Co2ii | 137.1 (2) |
O3—Co2—O11v | 175.1 (3) | O7v—K3—Co2ii | 134.2 (2) |
O7v—Co2—O11v | 85.3 (3) | O7xii—K3—Co2ii | 34.40 (15) |
O8i—Co2—O11v | 88.1 (3) | O3ii—K3—Co2ii | 34.20 (15) |
O12—Co2—O11v | 80.5 (2) | O9ii—K3—Co2ii | 77.86 (17) |
O11i—Co2—O11v | 82.7 (3) | O1ii—K3—Co2ii | 84.12 (17) |
O3—Co2—K3 | 48.5 (2) | O9i—K3—Co2ii | 136.1 (2) |
O7v—Co2—K3 | 49.7 (2) | Co2—K3—Co2ii | 154.4 (2) |
O8i—Co2—K3 | 136.6 (2) | K3ii—K3—Mo1ii | 89.6 (2) |
O12—Co2—K3 | 106.4 (2) | O3—K3—Mo1ii | 90.0 (2) |
O11i—Co2—K3 | 90.7 (2) | O7v—K3—Mo1ii | 156.6 (2) |
O11v—Co2—K3 | 134.82 (19) | O7xii—K3—Mo1ii | 90.86 (19) |
O3—Co2—K3ii | 51.7 (2) | O3ii—K3—Mo1ii | 29.23 (14) |
O7v—Co2—K3ii | 51.0 (2) | O9ii—K3—Mo1ii | 67.73 (17) |
O8i—Co2—K3ii | 135.6 (2) | O1ii—K3—Mo1ii | 28.35 (14) |
O12—Co2—K3ii | 80.9 (2) | O9i—K3—Mo1ii | 100.7 (2) |
O11i—Co2—K3ii | 115.8 (2) | Co2—K3—Mo1ii | 124.54 (15) |
O11v—Co2—K3ii | 129.00 (19) | Co2ii—K3—Mo1ii | 56.53 (8) |
K3—Co2—K3ii | 25.6 (2) | K3ii—K3—Mo3ii | 132.8 (4) |
O4—K1—O4ii | 110.5 (3) | O3—K3—Mo3ii | 142.3 (3) |
O4—K1—O10vi | 175.58 (19) | O7v—K3—Mo3ii | 130.1 (2) |
O4ii—K1—O10vi | 69.28 (19) | O7xii—K3—Mo3ii | 66.55 (17) |
O4—K1—O10vii | 69.28 (19) | O3ii—K3—Mo3ii | 77.54 (18) |
O4ii—K1—O10vii | 175.58 (19) | O9ii—K3—Mo3ii | 26.06 (14) |
O10vi—K1—O10vii | 111.3 (3) | O1ii—K3—Mo3ii | 80.87 (18) |
O4—K1—O5iii | 70.78 (19) | O9i—K3—Mo3ii | 80.10 (19) |
O4ii—K1—O5iii | 99.1 (2) | Co2—K3—Mo3ii | 146.61 (19) |
O10vi—K1—O5iii | 104.8 (2) | Co2ii—K3—Mo3ii | 58.31 (8) |
O10vii—K1—O5iii | 85.1 (2) | Mo1ii—K3—Mo3ii | 73.08 (10) |
O4—K1—O5viii | 99.1 (2) | Mo1—O1—K2x | 174.5 (4) |
O4ii—K1—O5viii | 70.78 (19) | Mo1—O1—K2 | 94.8 (3) |
O10vi—K1—O5viii | 85.1 (2) | K2x—O1—K2 | 86.8 (2) |
O10vii—K1—O5viii | 104.8 (2) | Mo1—O1—K3ii | 93.5 (3) |
O5iii—K1—O5viii | 162.7 (3) | K2x—O1—K3ii | 90.8 (2) |
O4—K1—Co1iv | 33.63 (14) | K2—O1—K3ii | 111.1 (3) |
O4ii—K1—Co1iv | 144.16 (19) | Mo1—O2—Co1 | 128.4 (4) |
O10vi—K1—Co1iv | 146.40 (19) | Mo1—O2—K2 | 97.3 (3) |
O10vii—K1—Co1iv | 35.80 (14) | Co1—O2—K2 | 121.7 (3) |
O5iii—K1—Co1iv | 72.80 (14) | Mo1—O3—Co2 | 126.6 (4) |
O5viii—K1—Co1iv | 106.85 (14) | Mo1—O3—K3 | 122.0 (3) |
O4—K1—Co1ix | 144.16 (19) | Co2—O3—K3 | 97.0 (3) |
O4ii—K1—Co1ix | 33.63 (14) | Mo1—O3—K3ii | 100.0 (3) |
O10vi—K1—Co1ix | 35.80 (14) | Co2—O3—K3ii | 94.1 (3) |
O10vii—K1—Co1ix | 146.40 (19) | K3—O3—K3ii | 33.3 (3) |
O5iii—K1—Co1ix | 106.85 (14) | Mo1—O3—K2i | 92.1 (3) |
O5viii—K1—Co1ix | 72.80 (14) | Co2—O3—K2i | 120.9 (3) |
Co1iv—K1—Co1ix | 177.78 (12) | K3—O3—K2i | 95.8 (2) |
O4—K1—Mo1 | 26.58 (14) | K3ii—O3—K2i | 124.2 (3) |
O4ii—K1—Mo1 | 88.66 (17) | Mo1—O4—Co1iv | 134.0 (3) |
O10vi—K1—Mo1 | 150.41 (15) | Mo1—O4—K1 | 110.1 (3) |
O10vii—K1—Mo1 | 92.26 (14) | Co1iv—O4—K1 | 99.2 (3) |
O5iii—K1—Mo1 | 58.06 (15) | Mo1—O4—K2i | 97.4 (3) |
O5viii—K1—Mo1 | 106.65 (16) | Co1iv—O4—K2i | 108.1 (3) |
Co1iv—K1—Mo1 | 57.01 (4) | K1—O4—K2i | 105.7 (2) |
Co1ix—K1—Mo1 | 120.88 (9) | Mo2—O5—K1iii | 118.6 (4) |
O4—K1—Mo1ii | 88.66 (17) | Mo2—O5—K2iii | 98.5 (3) |
O4ii—K1—Mo1ii | 26.58 (14) | K1iii—O5—K2iii | 134.1 (3) |
O10vi—K1—Mo1ii | 92.26 (14) | Mo2—O6—Co1 | 144.8 (4) |
O10vii—K1—Mo1ii | 150.41 (15) | Mo2—O6—K2iii | 94.7 (3) |
O5iii—K1—Mo1ii | 106.65 (16) | Co1—O6—K2iii | 100.5 (3) |
O5viii—K1—Mo1ii | 58.06 (15) | Mo2—O7—Co2v | 120.0 (3) |
Co1iv—K1—Mo1ii | 120.88 (9) | Mo2—O7—K3v | 138.4 (3) |
Co1ix—K1—Mo1ii | 57.01 (4) | Co2v—O7—K3v | 95.3 (3) |
Mo1—K1—Mo1ii | 72.73 (7) | Mo2—O7—K3xiii | 144.0 (4) |
O4—K1—Mo2iii | 67.74 (13) | Co2v—O7—K3xiii | 94.6 (3) |
O4ii—K1—Mo2iii | 120.81 (14) | K3v—O7—K3xiii | 33.3 (3) |
O10vi—K1—Mo2iii | 108.39 (15) | Mo2—O8—Co2xi | 115.0 (3) |
O10vii—K1—Mo2iii | 63.42 (14) | Mo2—O8—Co1xi | 139.4 (3) |
O5iii—K1—Mo2iii | 21.91 (14) | Co2xi—O8—Co1xi | 98.4 (3) |
O5viii—K1—Mo2iii | 164.37 (14) | Mo3—O9—K2 | 121.4 (4) |
Co1iv—K1—Mo2iii | 57.53 (2) | Mo3—O9—K3ii | 100.6 (4) |
Co1ix—K1—Mo2iii | 122.77 (3) | K2—O9—K3ii | 116.4 (3) |
Mo1—K1—Mo2iii | 65.52 (3) | Mo3—O9—K3xi | 113.5 (4) |
Mo1ii—K1—Mo2iii | 127.07 (8) | K2—O9—K3xi | 87.4 (2) |
O4—K1—Mo2viii | 120.81 (14) | K3ii—O9—K3xi | 118.7 (3) |
O4ii—K1—Mo2viii | 67.74 (13) | Mo3—O10—Co1v | 116.2 (3) |
O10vi—K1—Mo2viii | 63.42 (14) | Mo3—O10—K1xiv | 141.9 (3) |
O10vii—K1—Mo2viii | 108.39 (15) | Co1v—O10—K1xiv | 96.0 (2) |
O5iii—K1—Mo2viii | 164.37 (14) | Mo3—O11—Co2xi | 138.9 (4) |
O5viii—K1—Mo2viii | 21.91 (14) | Mo3—O11—Co2v | 114.6 (3) |
Co1iv—K1—Mo2viii | 122.77 (3) | Co2xi—O11—Co2v | 97.3 (3) |
Co1ix—K1—Mo2viii | 57.53 (2) | Mo3—O12—Co2 | 133.1 (3) |
Mo1—K1—Mo2viii | 127.07 (8) | Mo3—O12—Co1 | 127.2 (3) |
Mo1ii—K1—Mo2viii | 65.52 (3) | Co2—O12—Co1 | 97.5 (3) |
Mo2iii—K1—Mo2viii | 166.56 (11) | | |
| | | |
O1—Mo1—K1—O4 | 177.6 (4) | O3—Mo1—O2—Co1 | −17.7 (6) |
O2—Mo1—K1—O4 | −83.9 (4) | K2i—Mo1—O2—Co1 | 46.1 (6) |
O3—Mo1—K1—O4 | 81.7 (4) | K2—Mo1—O2—Co1 | −141.1 (6) |
K2i—Mo1—K1—O4 | 50.6 (3) | K3ii—Mo1—O2—Co1 | −72.6 (5) |
K2—Mo1—K1—O4 | −132.7 (3) | K1—Mo1—O2—Co1 | 149.6 (3) |
K3ii—Mo1—K1—O4 | 137.2 (3) | K3—Mo1—O2—Co1 | −52.3 (6) |
K3—Mo1—K1—O4 | 113.3 (3) | O1—Mo1—O2—K2 | 5.8 (3) |
O1—Mo1—K1—O4ii | 31.4 (3) | O4—Mo1—O2—K2 | −116.0 (3) |
O2—Mo1—K1—O4ii | 130.0 (3) | O3—Mo1—O2—K2 | 123.4 (3) |
O4—Mo1—K1—O4ii | −146.2 (2) | K2i—Mo1—O2—K2 | −172.83 (13) |
O3—Mo1—K1—O4ii | −64.4 (3) | K3ii—Mo1—O2—K2 | 68.5 (2) |
K2i—Mo1—K1—O4ii | −95.54 (15) | K1—Mo1—O2—K2 | −69.3 (3) |
K2—Mo1—K1—O4ii | 81.13 (14) | K3—Mo1—O2—K2 | 88.7 (3) |
K3ii—Mo1—K1—O4ii | −8.96 (17) | O4iv—Co1—O2—Mo1 | −114.3 (5) |
K3—Mo1—K1—O4ii | −32.85 (17) | O6—Co1—O2—Mo1 | 156.4 (5) |
O1—Mo1—K1—O10vi | −9.3 (4) | O8i—Co1—O2—Mo1 | −19.2 (5) |
O2—Mo1—K1—O10vi | 89.2 (4) | O10v—Co1—O2—Mo1 | 63.8 (12) |
O4—Mo1—K1—O10vi | 173.1 (4) | O12—Co1—O2—Mo1 | 59.9 (5) |
O3—Mo1—K1—O10vi | −105.2 (4) | K1iv—Co1—O2—Mo1 | −106.5 (4) |
K2i—Mo1—K1—O10vi | −136.3 (3) | K2iii—Co1—O2—Mo1 | −155.1 (4) |
K2—Mo1—K1—O10vi | 40.4 (3) | O4iv—Co1—O2—K2 | 112.8 (3) |
K3ii—Mo1—K1—O10vi | −49.7 (3) | O6—Co1—O2—K2 | 23.5 (3) |
K3—Mo1—K1—O10vi | −73.6 (3) | O8i—Co1—O2—K2 | −152.1 (3) |
O1—Mo1—K1—O10vii | −152.9 (3) | O10v—Co1—O2—K2 | −69.1 (11) |
O2—Mo1—K1—O10vii | −54.4 (3) | O12—Co1—O2—K2 | −73.0 (3) |
O4—Mo1—K1—O10vii | 29.5 (3) | K1iv—Co1—O2—K2 | 120.6 (3) |
O3—Mo1—K1—O10vii | 111.2 (3) | K2iii—Co1—O2—K2 | 72.0 (3) |
K2i—Mo1—K1—O10vii | 80.14 (15) | O9—K2—O2—Mo1 | −76.8 (3) |
K2—Mo1—K1—O10vii | −103.19 (15) | O1x—K2—O2—Mo1 | −17.5 (6) |
K3ii—Mo1—K1—O10vii | 166.71 (18) | O4xi—K2—O2—Mo1 | 143.9 (3) |
K3—Mo1—K1—O10vii | 142.82 (17) | O5iii—K2—O2—Mo1 | 59.1 (3) |
O1—Mo1—K1—O5iii | −70.1 (3) | O3xi—K2—O2—Mo1 | −133.8 (3) |
O2—Mo1—K1—O5iii | 28.4 (3) | O1—K2—O2—Mo1 | −3.7 (2) |
O4—Mo1—K1—O5iii | 112.3 (3) | O6iii—K2—O2—Mo1 | 116.2 (3) |
O3—Mo1—K1—O5iii | −166.0 (3) | Mo1xi—K2—O2—Mo1 | −171.74 (16) |
K2i—Mo1—K1—O5iii | 162.91 (17) | Mo2iii—K2—O2—Mo1 | 88.3 (2) |
K2—Mo1—K1—O5iii | −20.42 (17) | Mo3—K2—O2—Mo1 | −96.4 (2) |
K3ii—Mo1—K1—O5iii | −110.5 (2) | O9—K2—O2—Co1 | 67.9 (3) |
K3—Mo1—K1—O5iii | −134.41 (19) | O1x—K2—O2—Co1 | 127.2 (4) |
O1—Mo1—K1—O5viii | 100.9 (3) | O4xi—K2—O2—Co1 | −71.5 (4) |
O2—Mo1—K1—O5viii | −160.6 (3) | O5iii—K2—O2—Co1 | −156.3 (4) |
O4—Mo1—K1—O5viii | −76.7 (3) | O3xi—K2—O2—Co1 | 10.8 (4) |
O3—Mo1—K1—O5viii | 5.0 (3) | O1—K2—O2—Co1 | 140.9 (4) |
K2i—Mo1—K1—O5viii | −26.06 (16) | O6iii—K2—O2—Co1 | −99.1 (3) |
K2—Mo1—K1—O5viii | 150.61 (16) | Mo1xi—K2—O2—Co1 | −27.1 (5) |
K3ii—Mo1—K1—O5viii | 60.52 (18) | Mo1—K2—O2—Co1 | 144.6 (5) |
K3—Mo1—K1—O5viii | 36.62 (18) | Mo2iii—K2—O2—Co1 | −127.0 (3) |
O1—Mo1—K1—Co1iv | −159.5 (3) | Mo3—K2—O2—Co1 | 48.2 (3) |
O2—Mo1—K1—Co1iv | −61.0 (3) | O1—Mo1—O3—Co2 | 118.0 (5) |
O4—Mo1—K1—Co1iv | 22.9 (3) | O2—Mo1—O3—Co2 | −1.0 (5) |
O3—Mo1—K1—Co1iv | 104.6 (3) | O4—Mo1—O3—Co2 | −122.4 (4) |
K2i—Mo1—K1—Co1iv | 73.53 (5) | K2i—Mo1—O3—Co2 | −131.9 (5) |
K2—Mo1—K1—Co1iv | −109.80 (6) | K2—Mo1—O3—Co2 | 57.7 (5) |
K3ii—Mo1—K1—Co1iv | 160.10 (11) | K3ii—Mo1—O3—Co2 | 102.8 (5) |
K3—Mo1—K1—Co1iv | 136.21 (10) | K1—Mo1—O3—Co2 | −168.3 (3) |
O1—Mo1—K1—Co1ix | 21.3 (3) | K3—Mo1—O3—Co2 | 129.9 (7) |
O2—Mo1—K1—Co1ix | 119.8 (3) | O1—Mo1—O3—K3 | −12.0 (5) |
O4—Mo1—K1—Co1ix | −156.3 (3) | O2—Mo1—O3—K3 | −130.9 (4) |
O3—Mo1—K1—Co1ix | −74.5 (3) | O4—Mo1—O3—K3 | 107.7 (4) |
K2i—Mo1—K1—Co1ix | −105.65 (7) | K2i—Mo1—O3—K3 | 98.2 (4) |
K2—Mo1—K1—Co1ix | 71.02 (7) | K2—Mo1—O3—K3 | −72.2 (4) |
K3ii—Mo1—K1—Co1ix | −19.07 (12) | K3ii—Mo1—O3—K3 | −27.1 (3) |
K3—Mo1—K1—Co1ix | −42.97 (10) | K1—Mo1—O3—K3 | 61.8 (4) |
O1—Mo1—K1—Mo1ii | 53.1 (3) | O1—Mo1—O3—K3ii | 15.2 (4) |
O2—Mo1—K1—Mo1ii | 151.6 (3) | O2—Mo1—O3—K3ii | −103.8 (3) |
O4—Mo1—K1—Mo1ii | −124.5 (3) | O4—Mo1—O3—K3ii | 134.8 (3) |
O3—Mo1—K1—Mo1ii | −42.8 (3) | K2i—Mo1—O3—K3ii | 125.3 (3) |
K2i—Mo1—K1—Mo1ii | −73.90 (5) | K2—Mo1—O3—K3ii | −45.1 (3) |
K2—Mo1—K1—Mo1ii | 102.77 (5) | K1—Mo1—O3—K3ii | 88.9 (3) |
K3ii—Mo1—K1—Mo1ii | 12.68 (11) | K3—Mo1—O3—K3ii | 27.1 (3) |
K3—Mo1—K1—Mo1ii | −11.21 (9) | O1—Mo1—O3—K2i | −110.1 (3) |
O1—Mo1—K1—Mo2iii | −93.5 (3) | O2—Mo1—O3—K2i | 130.9 (3) |
O2—Mo1—K1—Mo2iii | 5.0 (3) | O4—Mo1—O3—K2i | 9.5 (3) |
O4—Mo1—K1—Mo2iii | 88.8 (3) | K2—Mo1—O3—K2i | −170.41 (13) |
O3—Mo1—K1—Mo2iii | 170.6 (3) | K3ii—Mo1—O3—K2i | −125.3 (3) |
K2i—Mo1—K1—Mo2iii | 139.47 (5) | K1—Mo1—O3—K2i | −36.4 (3) |
K2—Mo1—K1—Mo2iii | −43.86 (5) | K3—Mo1—O3—K2i | −98.2 (4) |
K3ii—Mo1—K1—Mo2iii | −133.95 (11) | O7v—Co2—O3—Mo1 | −129.9 (4) |
K3—Mo1—K1—Mo2iii | −157.85 (10) | O8i—Co2—O3—Mo1 | 51.6 (5) |
O1—Mo1—K1—Mo2viii | 91.9 (3) | O12—Co2—O3—Mo1 | −31.6 (5) |
O2—Mo1—K1—Mo2viii | −169.6 (3) | O11i—Co2—O3—Mo1 | 140.3 (4) |
O4—Mo1—K1—Mo2viii | −85.7 (3) | O11v—Co2—O3—Mo1 | −5 (3) |
O3—Mo1—K1—Mo2viii | −3.9 (3) | K3—Co2—O3—Mo1 | −139.1 (6) |
K2i—Mo1—K1—Mo2viii | −35.04 (6) | K3ii—Co2—O3—Mo1 | −105.7 (5) |
K2—Mo1—K1—Mo2viii | 141.63 (6) | O7v—Co2—O3—K3 | 9.2 (3) |
K3ii—Mo1—K1—Mo2viii | 51.53 (12) | O8i—Co2—O3—K3 | −169.4 (3) |
K3—Mo1—K1—Mo2viii | 27.64 (11) | O12—Co2—O3—K3 | 107.5 (3) |
O1—Mo1—K2—O9 | −78.8 (3) | O11i—Co2—O3—K3 | −80.7 (3) |
O2—Mo1—K2—O9 | 94.6 (3) | O11v—Co2—O3—K3 | 134 (3) |
O4—Mo1—K2—O9 | −173.2 (3) | K3ii—Co2—O3—K3 | 33.3 (3) |
O3—Mo1—K2—O9 | 6.7 (3) | O7v—Co2—O3—K3ii | −24.2 (3) |
K2i—Mo1—K2—O9 | −117.1 (5) | O8i—Co2—O3—K3ii | 157.3 (3) |
K3ii—Mo1—K2—O9 | −26.57 (18) | O12—Co2—O3—K3ii | 74.1 (3) |
K1—Mo1—K2—O9 | −136.50 (17) | O11i—Co2—O3—K3ii | −114.0 (3) |
K3—Mo1—K2—O9 | −29.64 (19) | O11v—Co2—O3—K3ii | 100 (3) |
O1—Mo1—K2—O1x | −3.51 (14) | K3—Co2—O3—K3ii | −33.3 (3) |
O2—Mo1—K2—O1x | 169.9 (3) | O7v—Co2—O3—K2i | 110.2 (3) |
O4—Mo1—K2—O1x | −97.9 (3) | O8i—Co2—O3—K2i | −68.4 (3) |
O3—Mo1—K2—O1x | 82.0 (3) | O12—Co2—O3—K2i | −151.5 (3) |
K2i—Mo1—K2—O1x | −41.7 (6) | O11i—Co2—O3—K2i | 20.4 (4) |
K3ii—Mo1—K2—O1x | 48.7 (2) | O11v—Co2—O3—K2i | −125 (3) |
K1—Mo1—K2—O1x | −61.18 (19) | K3—Co2—O3—K2i | 101.0 (4) |
K3—Mo1—K2—O1x | 45.7 (2) | K3ii—Co2—O3—K2i | 134.4 (4) |
O1—Mo1—K2—O4xi | 117.3 (5) | K3ii—K3—O3—Mo1 | 54.8 (4) |
O2—Mo1—K2—O4xi | −69.3 (4) | O7v—K3—O3—Mo1 | 134.4 (4) |
O4—Mo1—K2—O4xi | 22.9 (3) | O7xii—K3—O3—Mo1 | 57.0 (7) |
O3—Mo1—K2—O4xi | −157.2 (4) | O3ii—K3—O3—Mo1 | −8.8 (4) |
K2i—Mo1—K2—O4xi | 79.0 (7) | O9ii—K3—O3—Mo1 | −99.8 (4) |
K3ii—Mo1—K2—O4xi | 169.5 (4) | O1ii—K3—O3—Mo1 | −55.1 (4) |
K1—Mo1—K2—O4xi | 59.6 (4) | O9i—K3—O3—Mo1 | −136.2 (4) |
K3—Mo1—K2—O4xi | 166.5 (4) | Co2—K3—O3—Mo1 | 141.7 (6) |
O1—Mo1—K2—O2 | −173.4 (4) | Co2ii—K3—O3—Mo1 | 1.2 (6) |
O4—Mo1—K2—O2 | 92.2 (4) | Mo1ii—K3—O3—Mo1 | −34.8 (4) |
O3—Mo1—K2—O2 | −87.9 (4) | Mo3ii—K3—O3—Mo1 | −96.4 (5) |
K2i—Mo1—K2—O2 | 148.4 (6) | K3ii—K3—O3—Co2 | −86.9 (3) |
K3ii—Mo1—K2—O2 | −121.2 (3) | O7v—K3—O3—Co2 | −7.3 (2) |
K1—Mo1—K2—O2 | 128.9 (3) | O7xii—K3—O3—Co2 | −84.7 (6) |
K3—Mo1—K2—O2 | −124.2 (3) | O3ii—K3—O3—Co2 | −150.5 (3) |
O1—Mo1—K2—O5iii | 77.4 (3) | O9ii—K3—O3—Co2 | 118.5 (3) |
O2—Mo1—K2—O5iii | −109.1 (3) | O1ii—K3—O3—Co2 | 163.2 (3) |
O4—Mo1—K2—O5iii | −17.0 (3) | O9i—K3—O3—Co2 | 82.1 (3) |
O3—Mo1—K2—O5iii | 163.0 (3) | Co2ii—K3—O3—Co2 | −140.5 (3) |
K2i—Mo1—K2—O5iii | 39.2 (6) | Mo1ii—K3—O3—Co2 | −176.5 (2) |
K3ii—Mo1—K2—O5iii | 129.69 (18) | Mo3ii—K3—O3—Co2 | 121.9 (4) |
K1—Mo1—K2—O5iii | 19.76 (17) | O7v—K3—O3—K3ii | 79.6 (3) |
K3—Mo1—K2—O5iii | 126.62 (18) | O7xii—K3—O3—K3ii | 2.1 (5) |
O1—Mo1—K2—O3xi | −101.4 (4) | O3ii—K3—O3—K3ii | −63.6 (3) |
O2—Mo1—K2—O3xi | 72.0 (4) | O9ii—K3—O3—K3ii | −154.6 (4) |
O4—Mo1—K2—O3xi | 164.2 (3) | O1ii—K3—O3—K3ii | −109.9 (3) |
O3—Mo1—K2—O3xi | −15.9 (2) | O9i—K3—O3—K3ii | 169.0 (3) |
K2i—Mo1—K2—O3xi | −139.7 (5) | Co2—K3—O3—K3ii | 86.9 (3) |
K3ii—Mo1—K2—O3xi | −49.2 (3) | Co2ii—K3—O3—K3ii | −53.7 (4) |
K1—Mo1—K2—O3xi | −159.1 (3) | Mo1ii—K3—O3—K3ii | −89.6 (2) |
K3—Mo1—K2—O3xi | −52.3 (3) | Mo3ii—K3—O3—K3ii | −151.2 (4) |
O2—Mo1—K2—O1 | 173.4 (4) | K3ii—K3—O3—K2i | 151.0 (3) |
O4—Mo1—K2—O1 | −94.4 (4) | O7v—K3—O3—K2i | −129.4 (3) |
O3—Mo1—K2—O1 | 85.5 (4) | O7xii—K3—O3—K2i | 153.2 (5) |
K2i—Mo1—K2—O1 | −38.2 (6) | O3ii—K3—O3—K2i | 87.4 (2) |
K3ii—Mo1—K2—O1 | 52.3 (3) | O9ii—K3—O3—K2i | −3.6 (3) |
K1—Mo1—K2—O1 | −57.7 (3) | O1ii—K3—O3—K2i | 41.1 (2) |
K3—Mo1—K2—O1 | 49.2 (3) | O9i—K3—O3—K2i | −40.0 (2) |
O1—Mo1—K2—O6iii | 124.1 (3) | Co2—K3—O3—K2i | −122.1 (3) |
O2—Mo1—K2—O6iii | −62.5 (3) | Co2ii—K3—O3—K2i | 97.3 (3) |
O4—Mo1—K2—O6iii | 29.7 (3) | Mo1ii—K3—O3—K2i | 61.39 (18) |
O3—Mo1—K2—O6iii | −150.3 (3) | Mo3ii—K3—O3—K2i | −0.2 (4) |
K2i—Mo1—K2—O6iii | 85.9 (6) | O1—Mo1—O4—Co1iv | −128.4 (5) |
K3ii—Mo1—K2—O6iii | 176.37 (16) | O2—Mo1—O4—Co1iv | −7.4 (6) |
K1—Mo1—K2—O6iii | 66.44 (15) | O3—Mo1—O4—Co1iv | 114.1 (5) |
K3—Mo1—K2—O6iii | 173.30 (16) | K2i—Mo1—O4—Co1iv | 124.2 (6) |
O1—Mo1—K2—Mo1xi | −141.8 (6) | K2—Mo1—O4—Co1iv | −66.0 (5) |
O2—Mo1—K2—Mo1xi | 31.6 (6) | K3ii—Mo1—O4—Co1iv | 166.6 (3) |
O4—Mo1—K2—Mo1xi | 123.8 (6) | K1—Mo1—O4—Co1iv | −126.0 (6) |
O3—Mo1—K2—Mo1xi | −56.2 (6) | K3—Mo1—O4—Co1iv | 151.7 (4) |
K2i—Mo1—K2—Mo1xi | 180.000 (3) | O1—Mo1—O4—K1 | −2.4 (4) |
K3ii—Mo1—K2—Mo1xi | −89.5 (5) | O2—Mo1—O4—K1 | 118.6 (3) |
K1—Mo1—K2—Mo1xi | 160.6 (5) | O3—Mo1—O4—K1 | −119.9 (3) |
K3—Mo1—K2—Mo1xi | −92.6 (5) | K2i—Mo1—O4—K1 | −109.8 (3) |
O1—Mo1—K2—Mo2iii | 105.3 (3) | K2—Mo1—O4—K1 | 60.1 (3) |
O2—Mo1—K2—Mo2iii | −81.3 (3) | K3ii—Mo1—O4—K1 | −67.3 (4) |
O4—Mo1—K2—Mo2iii | 10.9 (2) | K3—Mo1—O4—K1 | −82.2 (3) |
O3—Mo1—K2—Mo2iii | −169.1 (3) | O1—Mo1—O4—K2i | 107.4 (3) |
K2i—Mo1—K2—Mo2iii | 67.1 (5) | O2—Mo1—O4—K2i | −131.6 (3) |
K3ii—Mo1—K2—Mo2iii | 157.59 (9) | O3—Mo1—O4—K2i | −10.1 (3) |
K1—Mo1—K2—Mo2iii | 47.66 (5) | K2—Mo1—O4—K2i | 169.83 (13) |
K3—Mo1—K2—Mo2iii | 154.52 (8) | K3ii—Mo1—O4—K2i | 42.4 (4) |
O1—Mo1—K2—Mo3 | −101.4 (3) | K1—Mo1—O4—K2i | 109.8 (3) |
O2—Mo1—K2—Mo3 | 72.0 (3) | K3—Mo1—O4—K2i | 27.5 (3) |
O4—Mo1—K2—Mo3 | 164.2 (2) | O4ii—K1—O4—Mo1 | 36.5 (2) |
O3—Mo1—K2—Mo3 | −15.9 (3) | O10vi—K1—O4—Mo1 | −50 (3) |
K2i—Mo1—K2—Mo3 | −139.7 (5) | O10vii—K1—O4—Mo1 | −148.3 (3) |
K3ii—Mo1—K2—Mo3 | −49.17 (9) | O5iii—K1—O4—Mo1 | −56.3 (3) |
K1—Mo1—K2—Mo3 | −159.10 (5) | O5viii—K1—O4—Mo1 | 109.2 (3) |
K3—Mo1—K2—Mo3 | −52.24 (9) | Co1iv—K1—O4—Mo1 | −143.9 (4) |
O10—Mo3—K2—O9 | 12.4 (6) | Co1ix—K1—O4—Mo1 | 36.1 (4) |
O11—Mo3—K2—O9 | 129.6 (5) | Mo1ii—K1—O4—Mo1 | 51.9 (3) |
O12—Mo3—K2—O9 | −117.9 (5) | Mo2iii—K1—O4—Mo1 | −79.5 (3) |
K3ii—Mo3—K2—O9 | −38.5 (5) | Mo2viii—K1—O4—Mo1 | 112.1 (3) |
O9—Mo3—K2—O1x | −32.6 (5) | O4ii—K1—O4—Co1iv | −179.6 (3) |
O10—Mo3—K2—O1x | −20.2 (4) | O10vi—K1—O4—Co1iv | 94 (3) |
O11—Mo3—K2—O1x | 97.0 (3) | O10vii—K1—O4—Co1iv | −4.4 (2) |
O12—Mo3—K2—O1x | −150.5 (3) | O5iii—K1—O4—Co1iv | 87.6 (3) |
K3ii—Mo3—K2—O1x | −71.10 (19) | O5viii—K1—O4—Co1iv | −106.9 (3) |
O9—Mo3—K2—O4xi | −115.1 (5) | Co1ix—K1—O4—Co1iv | −179.980 (17) |
O10—Mo3—K2—O4xi | −102.7 (4) | Mo1—K1—O4—Co1iv | 143.9 (4) |
O11—Mo3—K2—O4xi | 14.5 (3) | Mo1ii—K1—O4—Co1iv | −164.2 (2) |
O12—Mo3—K2—O4xi | 127.1 (3) | Mo2iii—K1—O4—Co1iv | 64.41 (19) |
K3ii—Mo3—K2—O4xi | −153.6 (2) | Mo2viii—K1—O4—Co1iv | −104.0 (2) |
O9—Mo3—K2—O2 | 116.8 (5) | O4ii—K1—O4—K2i | −67.75 (17) |
O10—Mo3—K2—O2 | 129.2 (4) | O10vi—K1—O4—K2i | −154 (3) |
O11—Mo3—K2—O2 | −113.6 (3) | O10vii—K1—O4—K2i | 107.5 (3) |
O12—Mo3—K2—O2 | −1.1 (2) | O5iii—K1—O4—K2i | −160.5 (3) |
K3ii—Mo3—K2—O2 | 78.31 (18) | O5viii—K1—O4—K2i | 5.0 (3) |
O9—Mo3—K2—O5iii | 84.5 (5) | Co1iv—K1—O4—K2i | 111.9 (3) |
O10—Mo3—K2—O5iii | 96.9 (4) | Co1ix—K1—O4—K2i | −68.1 (3) |
O11—Mo3—K2—O5iii | −145.9 (3) | Mo1—K1—O4—K2i | −104.2 (4) |
O12—Mo3—K2—O5iii | −33.4 (3) | Mo1ii—K1—O4—K2i | −52.32 (19) |
K3ii—Mo3—K2—O5iii | 46.0 (2) | Mo2iii—K1—O4—K2i | 176.3 (2) |
O9—Mo3—K2—O3xi | −94.2 (5) | Mo2viii—K1—O4—K2i | 7.9 (3) |
O10—Mo3—K2—O3xi | −81.8 (4) | O6—Mo2—O5—K1iii | −168.1 (3) |
O11—Mo3—K2—O3xi | 35.4 (2) | O7—Mo2—O5—K1iii | 71.5 (4) |
O12—Mo3—K2—O3xi | 147.9 (2) | O8—Mo2—O5—K1iii | −48.1 (4) |
K3ii—Mo3—K2—O3xi | −132.68 (17) | K2iii—Mo2—O5—K1iii | −151.9 (5) |
O9—Mo3—K2—O1 | 57.1 (5) | O6—Mo2—O5—K2iii | −16.2 (4) |
O10—Mo3—K2—O1 | 69.5 (4) | O7—Mo2—O5—K2iii | −136.5 (3) |
O11—Mo3—K2—O1 | −173.4 (2) | O8—Mo2—O5—K2iii | 103.9 (3) |
O12—Mo3—K2—O1 | −60.8 (2) | K1iii—Mo2—O5—K2iii | 151.9 (5) |
K3ii—Mo3—K2—O1 | 18.59 (17) | O5—Mo2—O6—Co1 | −100.1 (7) |
O9—Mo3—K2—O6iii | 163.7 (5) | O7—Mo2—O6—Co1 | 16.9 (8) |
O10—Mo3—K2—O6iii | 176.1 (4) | O8—Mo2—O6—Co1 | 144.1 (6) |
O11—Mo3—K2—O6iii | −66.7 (3) | K2iii—Mo2—O6—Co1 | −115.7 (7) |
O12—Mo3—K2—O6iii | 45.8 (3) | K1iii—Mo2—O6—Co1 | −113.7 (6) |
K3ii—Mo3—K2—O6iii | 125.2 (2) | O5—Mo2—O6—K2iii | 15.6 (3) |
O9—Mo3—K2—Mo1xi | −100.6 (5) | O7—Mo2—O6—K2iii | 132.6 (3) |
O10—Mo3—K2—Mo1xi | −88.2 (4) | O8—Mo2—O6—K2iii | −100.2 (3) |
O11—Mo3—K2—Mo1xi | 29.0 (2) | K1iii—Mo2—O6—K2iii | 2.1 (5) |
O12—Mo3—K2—Mo1xi | 141.6 (2) | O4iv—Co1—O6—Mo2 | 101.0 (7) |
K3ii—Mo3—K2—Mo1xi | −139.05 (11) | O2—Co1—O6—Mo2 | −158.7 (7) |
O9—Mo3—K2—Mo1 | 85.8 (5) | O8i—Co1—O6—Mo2 | −19 (3) |
O10—Mo3—K2—Mo1 | 98.2 (4) | O10v—Co1—O6—Mo2 | 5.8 (7) |
O11—Mo3—K2—Mo1 | −144.6 (2) | O12—Co1—O6—Mo2 | −75.1 (7) |
O12—Mo3—K2—Mo1 | −32.06 (19) | K1iv—Co1—O6—Mo2 | 54.0 (7) |
K3ii—Mo3—K2—Mo1 | 47.33 (10) | K2iii—Co1—O6—Mo2 | 114.0 (7) |
O9—Mo3—K2—Mo2iii | 123.1 (5) | O4iv—Co1—O6—K2iii | −13.0 (3) |
O10—Mo3—K2—Mo2iii | 135.5 (4) | O2—Co1—O6—K2iii | 87.3 (3) |
O11—Mo3—K2—Mo2iii | −107.3 (2) | O8i—Co1—O6—K2iii | −133 (2) |
O12—Mo3—K2—Mo2iii | 5.2 (2) | O10v—Co1—O6—K2iii | −108.2 (2) |
K3ii—Mo3—K2—Mo2iii | 84.63 (14) | O12—Co1—O6—K2iii | 170.8 (2) |
O3—Co2—K3—K3ii | 86.1 (3) | K1iv—Co1—O6—K2iii | −60.08 (19) |
O7v—Co2—K3—K3ii | −81.9 (3) | O5—Mo2—O7—Co2v | −162.7 (4) |
O8i—Co2—K3—K3ii | 101.7 (3) | O6—Mo2—O7—Co2v | 79.5 (4) |
O12—Co2—K3—K3ii | 3.99 (19) | O8—Mo2—O7—Co2v | −47.6 (5) |
O11i—Co2—K3—K3ii | −169.17 (18) | K2iii—Mo2—O7—Co2v | 143.2 (2) |
O11v—Co2—K3—K3ii | −88.8 (3) | K1iii—Mo2—O7—Co2v | −125.5 (3) |
O7v—Co2—K3—O3 | −168.0 (4) | O5—Mo2—O7—K3v | −18.5 (6) |
O8i—Co2—K3—O3 | 15.5 (4) | O6—Mo2—O7—K3v | −136.3 (5) |
O12—Co2—K3—O3 | −82.1 (3) | O8—Mo2—O7—K3v | 96.6 (5) |
O11i—Co2—K3—O3 | 104.7 (3) | K2iii—Mo2—O7—K3v | −72.5 (6) |
O11v—Co2—K3—O3 | −175.0 (4) | K1iii—Mo2—O7—K3v | 18.7 (5) |
K3ii—Co2—K3—O3 | −86.1 (3) | O5—Mo2—O7—K3xiii | 35.3 (7) |
O3—Co2—K3—O7v | 168.0 (4) | O6—Mo2—O7—K3xiii | −82.5 (6) |
O8i—Co2—K3—O7v | −176.4 (3) | O8—Mo2—O7—K3xiii | 150.4 (5) |
O12—Co2—K3—O7v | 85.9 (3) | K2iii—Mo2—O7—K3xiii | −18.8 (8) |
O11i—Co2—K3—O7v | −87.3 (3) | K1iii—Mo2—O7—K3xiii | 72.4 (6) |
O11v—Co2—K3—O7v | −6.9 (4) | O5—Mo2—O8—Co2xi | 164.5 (4) |
K3ii—Co2—K3—O7v | 81.9 (3) | O6—Mo2—O8—Co2xi | −78.2 (4) |
O3—Co2—K3—O7xii | 135.8 (4) | O7—Mo2—O8—Co2xi | 48.7 (4) |
O7v—Co2—K3—O7xii | −32.3 (4) | K2iii—Mo2—O8—Co2xi | −139.1 (3) |
O8i—Co2—K3—O7xii | 151.3 (4) | K1iii—Mo2—O8—Co2xi | 135.6 (3) |
O12—Co2—K3—O7xii | 53.6 (4) | O5—Mo2—O8—Co1xi | 22.4 (6) |
O11i—Co2—K3—O7xii | −119.5 (4) | O6—Mo2—O8—Co1xi | 139.7 (5) |
O11v—Co2—K3—O7xii | −39.2 (5) | O7—Mo2—O8—Co1xi | −93.3 (6) |
K3ii—Co2—K3—O7xii | 49.6 (3) | K2iii—Mo2—O8—Co1xi | 78.8 (5) |
O3—Co2—K3—O3ii | 40.6 (4) | K1iii—Mo2—O8—Co1xi | −6.5 (5) |
O7v—Co2—K3—O3ii | −127.5 (4) | O10—Mo3—O9—K2 | −172.2 (4) |
O8i—Co2—K3—O3ii | 56.1 (4) | O11—Mo3—O9—K2 | −52.4 (5) |
O12—Co2—K3—O3ii | −41.6 (4) | O12—Mo3—O9—K2 | 66.9 (5) |
O11i—Co2—K3—O3ii | 145.3 (3) | K3ii—Mo3—O9—K2 | 130.1 (5) |
O11v—Co2—K3—O3ii | −134.4 (3) | O10—Mo3—O9—K3ii | 57.7 (4) |
K3ii—Co2—K3—O3ii | −45.6 (3) | O11—Mo3—O9—K3ii | 177.5 (3) |
O3—Co2—K3—O9ii | −82.7 (4) | O12—Mo3—O9—K3ii | −63.2 (3) |
O7v—Co2—K3—O9ii | 109.2 (4) | K2—Mo3—O9—K3ii | −130.1 (5) |
O8i—Co2—K3—O9ii | −67.2 (4) | O10—Mo3—O9—K3xi | −70.2 (4) |
O12—Co2—K3—O9ii | −164.9 (3) | O11—Mo3—O9—K3xi | 49.6 (4) |
O11i—Co2—K3—O9ii | 22.0 (3) | O12—Mo3—O9—K3xi | 168.9 (3) |
O11v—Co2—K3—O9ii | 102.3 (4) | K3ii—Mo3—O9—K3xi | −127.9 (4) |
K3ii—Co2—K3—O9ii | −168.9 (3) | K2—Mo3—O9—K3xi | 102.0 (5) |
O3—Co2—K3—O1ii | −16.2 (3) | O1x—K2—O9—Mo3 | 148.8 (5) |
O7v—Co2—K3—O1ii | 175.8 (4) | O4xi—K2—O9—Mo3 | 83.0 (5) |
O8i—Co2—K3—O1ii | −0.6 (4) | O2—K2—O9—Mo3 | −56.7 (4) |
O12—Co2—K3—O1ii | −98.3 (3) | O5iii—K2—O9—Mo3 | −112.8 (4) |
O11i—Co2—K3—O1ii | 88.5 (3) | O3xi—K2—O9—Mo3 | 78.9 (5) |
O11v—Co2—K3—O1ii | 168.9 (3) | O1—K2—O9—Mo3 | −117.6 (5) |
K3ii—Co2—K3—O1ii | −102.3 (2) | O6iii—K2—O9—Mo3 | −27.1 (8) |
O3—Co2—K3—O9i | −84.6 (3) | Mo1xi—K2—O9—Mo3 | 84.1 (4) |
O7v—Co2—K3—O9i | 107.3 (3) | Mo1—K2—O9—Mo3 | −87.0 (4) |
O8i—Co2—K3—O9i | −69.1 (3) | Mo2iii—K2—O9—Mo3 | −80.4 (5) |
O12—Co2—K3—O9i | −166.7 (2) | O1x—K2—O9—K3ii | −88.3 (3) |
O11i—Co2—K3—O9i | 20.1 (2) | O4xi—K2—O9—K3ii | −154.1 (3) |
O11v—Co2—K3—O9i | 100.4 (3) | O2—K2—O9—K3ii | 66.2 (3) |
K3ii—Co2—K3—O9i | −170.74 (16) | O5iii—K2—O9—K3ii | 10.1 (4) |
O3—Co2—K3—Co2ii | 87.8 (5) | O3xi—K2—O9—K3ii | −158.2 (3) |
O7v—Co2—K3—Co2ii | −80.2 (4) | O1—K2—O9—K3ii | 5.3 (3) |
O8i—Co2—K3—Co2ii | 103.3 (4) | O6iii—K2—O9—K3ii | 95.8 (5) |
O12—Co2—K3—Co2ii | 5.7 (5) | Mo1xi—K2—O9—K3ii | −153.0 (2) |
O11i—Co2—K3—Co2ii | −167.5 (4) | Mo1—K2—O9—K3ii | 35.9 (2) |
O11v—Co2—K3—Co2ii | −87.2 (5) | Mo2iii—K2—O9—K3ii | 42.5 (4) |
K3ii—Co2—K3—Co2ii | 1.7 (4) | Mo3—K2—O9—K3ii | 122.9 (6) |
O3—Co2—K3—Mo1ii | 4.3 (3) | O1x—K2—O9—K3xi | 32.6 (2) |
O7v—Co2—K3—Mo1ii | −163.7 (4) | O4xi—K2—O9—K3xi | −33.1 (4) |
O8i—Co2—K3—Mo1ii | 19.8 (4) | O2—K2—O9—K3xi | −172.8 (2) |
O12—Co2—K3—Mo1ii | −77.8 (3) | O5iii—K2—O9—K3xi | 131.0 (3) |
O11i—Co2—K3—Mo1ii | 109.0 (3) | O3xi—K2—O9—K3xi | −37.22 (19) |
O11v—Co2—K3—Mo1ii | −170.7 (3) | O1—K2—O9—K3xi | 126.3 (2) |
K3ii—Co2—K3—Mo1ii | −81.8 (2) | O6iii—K2—O9—K3xi | −143.2 (4) |
O3—Co2—K3—Mo3ii | −109.4 (4) | Mo1xi—K2—O9—K3xi | −32.02 (19) |
O7v—Co2—K3—Mo3ii | 82.5 (4) | Mo1—K2—O9—K3xi | 156.9 (2) |
O8i—Co2—K3—Mo3ii | −93.9 (4) | Mo2iii—K2—O9—K3xi | 163.5 (2) |
O12—Co2—K3—Mo3ii | 168.4 (3) | Mo3—K2—O9—K3xi | −116.1 (5) |
O11i—Co2—K3—Mo3ii | −4.7 (3) | O9—Mo3—O10—Co1v | 171.4 (4) |
O11v—Co2—K3—Mo3ii | 75.6 (4) | O11—Mo3—O10—Co1v | 56.3 (4) |
K3ii—Co2—K3—Mo3ii | 164.5 (3) | O12—Mo3—O10—Co1v | −72.7 (4) |
O2—Mo1—O1—K2x | −113 (4) | K3ii—Mo3—O10—Co1v | −144.1 (4) |
O4—Mo1—O1—K2x | 8 (4) | K2—Mo3—O10—Co1v | 163.64 (12) |
O3—Mo1—O1—K2x | 127 (4) | O9—Mo3—O10—K1xiv | 26.7 (6) |
K2i—Mo1—O1—K2x | 66 (4) | O11—Mo3—O10—K1xiv | −88.3 (6) |
K2—Mo1—O1—K2x | −108 (4) | O12—Mo3—O10—K1xiv | 142.6 (5) |
K3ii—Mo1—O1—K2x | 141 (4) | K3ii—Mo3—O10—K1xiv | 71.2 (5) |
K1—Mo1—O1—K2x | 7 (4) | K2—Mo3—O10—K1xiv | 18.9 (8) |
K3—Mo1—O1—K2x | 120 (4) | O9—Mo3—O11—Co2xi | −28.2 (6) |
O2—Mo1—O1—K2 | −5.6 (3) | O10—Mo3—O11—Co2xi | 87.0 (6) |
O4—Mo1—O1—K2 | 116.0 (3) | O12—Mo3—O11—Co2xi | −143.3 (5) |
O3—Mo1—O1—K2 | −125.3 (3) | K3ii—Mo3—O11—Co2xi | −22.6 (10) |
K2i—Mo1—O1—K2 | 173.34 (11) | K2—Mo3—O11—Co2xi | −57.1 (5) |
K3ii—Mo1—O1—K2 | −111.5 (3) | O9—Mo3—O11—Co2v | −165.6 (3) |
K1—Mo1—O1—K2 | 114.3 (2) | O10—Mo3—O11—Co2v | −50.4 (4) |
K3—Mo1—O1—K2 | −132.5 (2) | O12—Mo3—O11—Co2v | 79.3 (4) |
O2—Mo1—O1—K3ii | 105.9 (3) | K3ii—Mo3—O11—Co2v | −160.0 (4) |
O4—Mo1—O1—K3ii | −132.5 (3) | K2—Mo3—O11—Co2v | 165.4 (3) |
O3—Mo1—O1—K3ii | −13.8 (3) | O9—Mo3—O12—Co2 | 78.7 (5) |
K2i—Mo1—O1—K3ii | −75.2 (2) | O10—Mo3—O12—Co2 | −37.2 (6) |
K2—Mo1—O1—K3ii | 111.5 (3) | O11—Mo3—O12—Co2 | −166.4 (4) |
K1—Mo1—O1—K3ii | −134.2 (3) | K3ii—Mo3—O12—Co2 | 31.9 (4) |
K3—Mo1—O1—K3ii | −21.01 (19) | K2—Mo3—O12—Co2 | 112.5 (4) |
O9—K2—O1—Mo1 | 90.5 (3) | O9—Mo3—O12—Co1 | −80.4 (5) |
O1x—K2—O1—Mo1 | 177.00 (12) | O10—Mo3—O12—Co1 | 163.7 (4) |
O4xi—K2—O1—Mo1 | −122.0 (4) | O11—Mo3—O12—Co1 | 34.4 (5) |
O2—K2—O1—Mo1 | 3.8 (2) | K3ii—Mo3—O12—Co1 | −127.2 (4) |
O5iii—K2—O1—Mo1 | −85.0 (3) | K2—Mo3—O12—Co1 | −46.7 (4) |
O3xi—K2—O1—Mo1 | 115.0 (3) | O3—Co2—O12—Mo3 | −83.2 (5) |
O6iii—K2—O1—Mo1 | −61.1 (3) | O7v—Co2—O12—Mo3 | 15.1 (5) |
Mo1xi—K2—O1—Mo1 | 163.8 (3) | O8i—Co2—O12—Mo3 | −171.8 (5) |
Mo2iii—K2—O1—Mo1 | −68.0 (2) | O11i—Co2—O12—Mo3 | 122.8 (8) |
Mo3—K2—O1—Mo1 | 71.3 (2) | O11v—Co2—O12—Mo3 | 99.0 (5) |
O9—K2—O1—K2x | −94.7 (2) | K3—Co2—O12—Mo3 | −35.1 (5) |
O1x—K2—O1—K2x | −8.2 (3) | K3ii—Co2—O12—Mo3 | −33.3 (4) |
O4xi—K2—O1—K2x | 52.8 (5) | O3—Co2—O12—Co1 | 80.2 (3) |
O2—K2—O1—K2x | 178.6 (3) | O7v—Co2—O12—Co1 | 178.5 (3) |
O5iii—K2—O1—K2x | 89.7 (2) | O8i—Co2—O12—Co1 | −8.4 (3) |
O3xi—K2—O1—K2x | −70.3 (4) | O11i—Co2—O12—Co1 | −73.8 (9) |
O6iii—K2—O1—K2x | 113.68 (19) | O11v—Co2—O12—Co1 | −97.6 (3) |
Mo1xi—K2—O1—K2x | −21.4 (5) | K3—Co2—O12—Co1 | 128.3 (2) |
Mo1—K2—O1—K2x | 174.7 (4) | K3ii—Co2—O12—Co1 | 130.0 (2) |
Mo2iii—K2—O1—K2x | 106.75 (15) | O4iv—Co1—O12—Mo3 | −158.9 (18) |
Mo3—K2—O1—K2x | −114.00 (15) | O2—Co1—O12—Mo3 | 76.9 (4) |
O9—K2—O1—K3ii | −5.1 (2) | O6—Co1—O12—Mo3 | −12.8 (5) |
O1x—K2—O1—K3ii | 81.4 (3) | O8i—Co1—O12—Mo3 | 173.0 (4) |
O4xi—K2—O1—K3ii | 142.4 (4) | O10v—Co1—O12—Mo3 | −102.0 (4) |
O2—K2—O1—K3ii | −91.8 (3) | K1iv—Co1—O12—Mo3 | −112.5 (4) |
O5iii—K2—O1—K3ii | 179.3 (3) | K2iii—Co1—O12—Mo3 | −1.1 (6) |
O3xi—K2—O1—K3ii | 19.3 (4) | O4iv—Co1—O12—Co2 | 36 (2) |
O6iii—K2—O1—K3ii | −156.7 (2) | O2—Co1—O12—Co2 | −87.9 (3) |
Mo1xi—K2—O1—K3ii | 68.2 (5) | O6—Co1—O12—Co2 | −177.6 (3) |
Mo1—K2—O1—K3ii | −95.6 (3) | O8i—Co1—O12—Co2 | 8.2 (3) |
Mo2iii—K2—O1—K3ii | −163.6 (2) | O10v—Co1—O12—Co2 | 93.2 (3) |
Mo3—K2—O1—K3ii | −24.4 (2) | K1iv—Co1—O12—Co2 | 82.7 (3) |
O1—Mo1—O2—Co1 | −135.3 (5) | K2iii—Co1—O12—Co2 | −165.85 (13) |
O4—Mo1—O2—Co1 | 102.9 (5) | | |
Symmetry codes: (i) x+1, y, z; (ii) −x+1, y, −z+1/2; (iii) −x, −y+1, −z+1; (iv) −x+1, −y+1, −z+1; (v) −x+1/2, −y+3/2, −z+1; (vi) −x+1/2, y−1/2, −z+1/2; (vii) x+1/2, y−1/2, z; (viii) x+1, −y+1, z−1/2; (ix) x, −y+1, z−1/2; (x) −x, y, −z+1/2; (xi) x−1, y, z; (xii) x+1/2, −y+3/2, z−1/2; (xiii) x−1/2, −y+3/2, z+1/2; (xiv) x−1/2, y+1/2, z. |
Crystal data top
Co2K2Mo3O12 | F(000) = 2512 |
Mr = 675.88 | Dx = 4.754 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 13.5237 (8) Å | Cell parameters from 4390 reflections |
b = 7.6440 (4) Å | θ = 2.1–25.9° |
c = 18.850 (1) Å | µ = 8.26 mm−1 |
β = 104.260 (6)° | T = 298 K |
V = 1888.58 (18) Å3 | Plate, purple |
Z = 8 | 0.11 × 0.05 × 0.03 mm |
Data collection top
Oxford Diffraction Xcalibur (TM) Single Crystal X-ray Diffractometer
with Sapphire CCD Detector. | 791 reflections with I > 2σ(I) |
Radiation source: Enhance (Mo) X-ray Source | Rint = 0.130 |
Graphite monochromator | θmax = 26.0°, θmin = 2.2° |
Detector resolution: 8.4012 pixels mm-1 | h = −16→16 |
Rotation method data acquisition using ω and phi scans. | k = −3→2 |
7020 measured reflections | l = −20→22 |
1154 independent reflections | |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Primary atom site location: structure-invariant direct methods |
R[F2 > 2σ(F2)] = 0.047 | Secondary atom site location: difference Fourier map |
wR(F2) = 0.110 | w = 1/[σ2(Fo2) + (0.0538P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.05 | (Δ/σ)max < 0.001 |
1154 reflections | Δρmax = 1.07 e Å−3 |
195 parameters | Δρmin = −0.89 e Å−3 |
Crystal data top
Co2K2Mo3O12 | V = 1888.58 (18) Å3 |
Mr = 675.88 | Z = 8 |
Monoclinic, P21/c | Mo Kα radiation |
a = 13.5237 (8) Å | µ = 8.26 mm−1 |
b = 7.6440 (4) Å | T = 298 K |
c = 18.850 (1) Å | 0.11 × 0.05 × 0.03 mm |
β = 104.260 (6)° | |
Data collection top
Oxford Diffraction Xcalibur (TM) Single Crystal X-ray Diffractometer
with Sapphire CCD Detector. | 791 reflections with I > 2σ(I) |
7020 measured reflections | Rint = 0.130 |
1154 independent reflections | |
Refinement top
R[F2 > 2σ(F2)] = 0.047 | 195 parameters |
wR(F2) = 0.110 | 0 restraints |
S = 1.05 | Δρmax = 1.07 e Å−3 |
1154 reflections | Δρmin = −0.89 e Å−3 |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Mo1A | 0.24962 (11) | 0.3685 (7) | 0.26601 (11) | 0.010 (4) | |
Mo1B | 0.25987 (11) | 0.7825 (8) | 0.24996 (10) | 0.019 (4) | |
Mo2A | 0.67270 (12) | 0.7542 (7) | 0.39151 (11) | 0.011 (3) | |
Mo2B | 0.12143 (11) | 0.7131 (7) | 0.40837 (10) | 0.010 (3) | |
Mo3A | 0.53078 (11) | 0.2909 (7) | 0.44848 (11) | 0.014 (3) | |
Mo3B | 0.04318 (11) | 0.3513 (7) | 0.45044 (10) | 0.014 (3) | |
Co1A | 0.41748 (18) | 0.6830 (11) | 0.38075 (16) | 0.026 (5) | |
Co1B | 0.10865 (17) | 0.4358 (11) | 0.65596 (16) | 0.0133 (8)* | |
Co2A | 0.28968 (17) | 0.4449 (11) | 0.44681 (17) | 0.012 (5) | |
Co2B | 0.22303 (18) | 0.6460 (11) | 0.57217 (17) | 0.016 (5) | |
K1A | 0.2852 (3) | 0.023 (2) | 0.4158 (3) | 0.026 (10) | |
K1B | 0.0983 (3) | 0.0195 (19) | 0.5872 (3) | 0.017 (9) | |
K2A | 0.4974 (3) | −0.0323 (19) | 0.2553 (3) | 0.025 (7) | |
K2B | 0.0147 (3) | 0.1841 (18) | 0.2842 (3) | 0.028 (9) | |
O1A | 0.3390 (8) | 0.231 (5) | 0.2443 (8) | 0.0161 (9)* | |
O1B | 0.1707 (9) | 0.587 (5) | 0.2295 (8) | 0.0161 (9)* | |
O2A | 0.3453 (9) | 0.553 (5) | 0.2893 (8) | 0.0161 (9)* | |
O2B | 0.1599 (9) | 0.929 (5) | 0.2485 (8) | 0.0161 (9)* | |
O3A | 0.2327 (9) | 0.307 (5) | 0.3534 (7) | 0.0161 (9)* | |
O3B | 0.3064 (8) | 0.803 (5) | 0.1726 (8) | 0.0161 (9)* | |
O4A | 0.1366 (8) | 0.287 (5) | 0.2067 (8) | 0.0161 (9)* | |
O4B | 0.3588 (8) | 0.879 (5) | 0.3176 (8) | 0.0161 (9)* | |
O5A | 0.7007 (9) | 0.964 (6) | 0.3654 (8) | 0.0161 (9)* | |
O5B | 0.0577 (9) | 0.875 (5) | 0.3525 (8) | 0.0161 (9)* | |
O6A | 0.5470 (8) | 0.689 (5) | 0.3518 (7) | 0.0161 (9)* | |
O6B | −0.0426 (9) | 0.487 (5) | 0.6401 (8) | 0.0161 (9)* | |
O7A | 0.6779 (8) | 0.764 (5) | 0.4848 (7) | 0.0161 (9)* | |
O7B | 0.1686 (8) | 0.825 (5) | 0.4936 (7) | 0.0161 (9)* | |
O8A | 0.7737 (9) | 0.608 (5) | 0.3860 (8) | 0.0161 (9)* | |
O8B | 0.2376 (9) | 0.685 (5) | 0.3822 (8) | 0.0161 (9)* | |
O9A | 0.5077 (9) | 0.158 (5) | 0.3755 (7) | 0.0161 (9)* | |
O9B | 0.0954 (9) | 0.156 (5) | 0.4392 (8) | 0.0161 (9)* | |
O10A | 0.5389 (9) | 0.164 (5) | 0.5276 (7) | 0.0161 (9)* | |
O10B | 0.0173 (8) | 0.335 (5) | 0.5413 (7) | 0.0161 (9)* | |
O11A | 0.6512 (8) | 0.403 (5) | 0.4600 (7) | 0.0161 (9)* | |
O11B | 0.1593 (8) | 0.493 (5) | 0.4795 (8) | 0.0161 (9)* | |
O12A | 0.4307 (8) | 0.452 (5) | 0.4344 (8) | 0.0161 (9)* | |
O12B | −0.0886 (9) | 0.321 (5) | 0.3996 (8) | 0.0161 (9)* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Mo1A | 0.0114 (9) | 0.008 (12) | 0.0122 (13) | −0.0004 (16) | 0.0048 (7) | 0.000 (2) |
Mo1B | 0.0120 (9) | 0.035 (12) | 0.0108 (12) | −0.0010 (17) | 0.0038 (7) | 0.001 (2) |
Mo2A | 0.0121 (9) | 0.007 (10) | 0.0130 (12) | −0.0006 (17) | 0.0032 (7) | 0.003 (2) |
Mo2B | 0.0132 (9) | 0.009 (10) | 0.0085 (12) | −0.0008 (16) | 0.0046 (7) | 0.000 (2) |
Mo3A | 0.0105 (8) | 0.020 (10) | 0.0130 (12) | −0.0023 (16) | 0.0030 (7) | 0.001 (2) |
Mo3B | 0.0099 (9) | 0.025 (11) | 0.0085 (12) | −0.0001 (16) | 0.0052 (7) | −0.002 (2) |
Co1A | 0.0137 (14) | 0.057 (17) | 0.0094 (18) | −0.003 (3) | 0.0050 (11) | 0.000 (4) |
Co2A | 0.0108 (13) | 0.008 (16) | 0.018 (2) | −0.001 (2) | 0.0071 (11) | 0.001 (4) |
Co2B | 0.0149 (14) | 0.022 (17) | 0.012 (2) | 0.003 (2) | 0.0075 (11) | 0.005 (3) |
K1A | 0.033 (3) | 0.02 (3) | 0.024 (4) | 0.001 (5) | 0.013 (2) | −0.001 (7) |
K1B | 0.020 (2) | 0.02 (3) | 0.009 (3) | −0.015 (4) | 0.0061 (18) | −0.001 (6) |
K2A | 0.019 (2) | 0.04 (2) | 0.022 (3) | 0.002 (5) | 0.0081 (18) | 0.015 (6) |
K2B | 0.023 (2) | 0.05 (3) | 0.014 (3) | −0.001 (4) | 0.0086 (19) | −0.011 (6) |
Geometric parameters (Å, º) top
Mo1A—O1A | 1.73 (3) | K1A—O7Av | 2.44 (3) |
Mo1A—O4A | 1.769 (18) | K1A—O3A | 2.49 (4) |
Mo1A—O3A | 1.781 (17) | K1A—O4Bxi | 2.55 (2) |
Mo1A—O2A | 1.89 (3) | K1A—O8Bxi | 2.69 (4) |
Mo1A—O1B | 2.01 (3) | K1A—O10Avii | 2.75 (2) |
Mo1A—Mo1B | 3.185 (7) | K1A—O7Bxi | 2.84 (3) |
Mo1A—K2B | 3.568 (7) | K1A—O9B | 2.90 (2) |
Mo1A—K1Bi | 3.589 (6) | K1A—O5Bxi | 3.219 (19) |
Mo1A—K2Aii | 3.622 (6) | K1A—Mo2Bxi | 3.220 (12) |
Mo1A—K1A | 3.811 (12) | K1A—O2Bxi | 3.270 (17) |
Mo1B—O3B | 1.731 (15) | K1A—Co1Axi | 3.310 (14) |
Mo1B—O2B | 1.75 (3) | K1B—O12Bviii | 2.63 (4) |
Mo1B—O4B | 1.77 (2) | K1B—O4Aix | 2.64 (3) |
Mo1B—O1B | 1.90 (3) | K1B—O5Av | 2.646 (13) |
Mo1B—O2A | 2.13 (3) | K1B—O7Bxi | 2.66 (3) |
Mo1B—Co1A | 2.934 (4) | K1B—O10B | 2.70 (4) |
Mo1B—K2Aiii | 3.489 (8) | K1B—O1Bix | 2.74 (2) |
Mo1B—K1Aiii | 3.568 (10) | K1B—O5Bvi | 2.753 (18) |
Mo1B—K2Biv | 3.687 (5) | K1B—O9Bviii | 2.88 (2) |
Mo1B—K1Bi | 4.027 (10) | K1B—O9B | 2.97 (2) |
Mo1B—K2Aii | 4.091 (10) | K1B—O8Av | 3.30 (4) |
Mo2A—O5A | 1.74 (4) | K1B—Co2Bxi | 3.363 (15) |
Mo2A—O7A | 1.744 (14) | K1B—Mo3Bviii | 3.396 (13) |
Mo2A—O6A | 1.752 (15) | K2A—O4Bxi | 2.537 (17) |
Mo2A—O8A | 1.79 (3) | K2A—O2Axii | 2.556 (17) |
Mo2A—K2Aiii | 3.446 (9) | K2A—O6Axii | 2.59 (3) |
Mo2A—K1Bv | 3.483 (8) | K2A—O9A | 2.67 (3) |
Mo2A—K2Aii | 3.822 (10) | K2A—O6Axi | 2.77 (3) |
Mo2A—K1Av | 3.925 (9) | K2A—O1Axii | 2.86 (3) |
Mo2B—O5B | 1.71 (3) | K2A—O1A | 2.91 (3) |
Mo2B—O8B | 1.772 (14) | K2A—O3Bxi | 2.95 (2) |
Mo2B—O7B | 1.79 (2) | K2A—O5Axi | 3.010 (13) |
Mo2B—O6Bvi | 1.96 (3) | K2A—O9Axii | 3.41 (3) |
Mo2B—O11B | 2.14 (3) | K2A—Mo2Axi | 3.446 (9) |
Mo2B—O10Bvi | 2.330 (14) | K2A—Co1Axii | 3.473 (9) |
Mo2B—Co2A | 3.015 (7) | K2B—O1Bxiii | 2.567 (17) |
Mo2B—Co2B | 3.097 (4) | K2B—O4A | 2.581 (19) |
Mo2B—Mo3B | 3.132 (7) | K2B—O5Bxi | 2.69 (4) |
Mo2B—K1Aiii | 3.220 (12) | K2B—O9B | 2.864 (15) |
Mo2B—K1Bvi | 3.625 (10) | K2B—O6Bvi | 2.87 (4) |
Mo2B—K2Biv | 3.651 (5) | K2B—O5Bxiii | 2.91 (2) |
Mo3A—O9A | 1.68 (3) | K2B—O6Bi | 2.94 (2) |
Mo3A—O10A | 1.76 (2) | K2B—O2Bxi | 2.96 (3) |
Mo3A—O12A | 1.80 (3) | K2B—O2Bxiii | 2.96 (3) |
Mo3A—O11A | 1.81 (2) | K2B—O12B | 3.05 (2) |
Mo3A—K1A | 3.822 (10) | K2B—O3A | 3.062 (17) |
Mo3A—K1Avii | 3.917 (11) | K2B—Co1Bi | 3.132 (7) |
Mo3A—K2Aii | 4.000 (8) | O1A—K2Aii | 2.86 (3) |
Mo3B—O9B | 1.68 (4) | O1B—K2Biv | 2.567 (17) |
Mo3B—O12B | 1.818 (13) | O1B—K1Bi | 2.742 (19) |
Mo3B—O10B | 1.835 (14) | O2A—K2Aii | 2.556 (17) |
Mo3B—O11B | 1.87 (3) | O2B—Co1Bxiv | 2.00 (2) |
Mo3B—O6Bvi | 2.10 (3) | O2B—K2Biii | 2.96 (3) |
Mo3B—Co1Bvi | 2.976 (6) | O2B—K2Biv | 2.96 (3) |
Mo3B—K2B | 3.317 (7) | O2B—K1Aiii | 3.270 (17) |
Mo3B—K1Bviii | 3.396 (13) | O3B—Co2Bxiv | 1.989 (15) |
Mo3B—K1B | 3.562 (12) | O3B—K2Aiii | 2.95 (2) |
Co1A—O4B | 1.96 (3) | O4A—Co1Bi | 1.95 (4) |
Co1A—O6A | 1.960 (13) | O4A—K1Bi | 2.64 (3) |
Co1A—O12A | 2.02 (3) | O4B—K2Aiii | 2.537 (17) |
Co1A—O2A | 2.02 (2) | O4B—K1Aiii | 2.55 (2) |
Co1A—O10Av | 2.05 (2) | O5A—K1Bv | 2.646 (13) |
Co1A—Co2A | 2.985 (8) | O5A—K2Aiii | 3.010 (13) |
Co1A—K1Aiii | 3.310 (14) | O5B—K2Biii | 2.69 (4) |
Co1A—K2Aii | 3.473 (9) | O5B—K1Bvi | 2.753 (18) |
Co1A—K2Aiii | 3.571 (11) | O5B—K2Biv | 2.91 (2) |
Co1B—O4Aix | 1.95 (4) | O5B—K1Aiii | 3.219 (19) |
Co1B—O8Av | 1.971 (15) | O6A—K2Aii | 2.59 (3) |
Co1B—O2Bx | 2.00 (2) | O6A—K2Aiii | 2.77 (3) |
Co1B—O6B | 2.032 (14) | O6B—Mo2Bvi | 1.96 (3) |
Co1B—O12Bvi | 2.11 (4) | O6B—Mo3Bvi | 2.10 (3) |
Co1B—O10B | 2.342 (19) | O6B—K2Bvi | 2.87 (4) |
Co1B—Co2B | 2.945 (7) | O6B—K2Bix | 2.94 (2) |
Co1B—Mo3Bvi | 2.976 (6) | O7A—Co2Av | 2.03 (3) |
Co1B—K2Bix | 3.132 (7) | O7A—K1Av | 2.44 (3) |
Co1B—K1B | 3.426 (16) | O7B—K1Biii | 2.66 (3) |
Co1B—K2Bvi | 3.664 (13) | O7B—K1Aiii | 2.84 (3) |
Co2A—O12A | 1.979 (12) | O8A—Co1Bv | 1.971 (15) |
Co2A—O7Av | 2.03 (3) | O8A—Co2Bv | 2.09 (4) |
Co2A—O3A | 2.03 (2) | O8A—K1Bv | 3.30 (4) |
Co2A—O11B | 2.039 (15) | O8B—K1Aiii | 2.69 (4) |
Co2A—O11Av | 2.09 (2) | O9A—K2Aii | 3.41 (3) |
Co2A—O8B | 2.22 (3) | O9B—K1Bviii | 2.88 (2) |
Co2A—K1A | 3.278 (16) | O10A—Co1Av | 2.05 (2) |
Co2B—O11Av | 1.977 (15) | O10A—K1Avii | 2.75 (2) |
Co2B—O3Bx | 1.989 (15) | O10B—Mo2Bvi | 2.330 (14) |
Co2B—O7B | 2.02 (3) | O11A—Co2Bv | 1.977 (15) |
Co2B—O12Bvi | 2.032 (14) | O11A—Co2Av | 2.09 (2) |
Co2B—O8Av | 2.09 (4) | O12B—Co2Bvi | 2.032 (14) |
Co2B—O11B | 2.10 (3) | O12B—Co1Bvi | 2.11 (4) |
Co2B—K1Biii | 3.363 (15) | O12B—K1Bviii | 2.63 (4) |
| | | |
O1A—Mo1A—O4A | 100.5 (12) | O11Av—Co2B—Co1B | 131.7 (11) |
O1A—Mo1A—O3A | 108.4 (12) | O3Bx—Co2B—Co1B | 81.2 (7) |
O4A—Mo1A—O3A | 101.8 (9) | O7B—Co2B—Co1B | 128.2 (4) |
O1A—Mo1A—O2A | 91.8 (12) | O12Bvi—Co2B—Co1B | 45.9 (10) |
O4A—Mo1A—O2A | 147.5 (13) | O8Av—Co2B—Co1B | 42.0 (4) |
O3A—Mo1A—O2A | 102.6 (10) | O11B—Co2B—Co1B | 88.8 (7) |
O1A—Mo1A—O1B | 140.3 (9) | O11Av—Co2B—Mo2B | 86.0 (4) |
O4A—Mo1A—O1B | 76.8 (13) | O3Bx—Co2B—Mo2B | 157.6 (11) |
O3A—Mo1A—O1B | 111.0 (11) | O7B—Co2B—Mo2B | 33.3 (9) |
O2A—Mo1A—O1B | 74.6 (11) | O12Bvi—Co2B—Mo2B | 92.0 (4) |
O1A—Mo1A—Mo1B | 122.3 (10) | O8Av—Co2B—Mo2B | 119.5 (6) |
O4A—Mo1A—Mo1B | 109.8 (12) | O11B—Co2B—Mo2B | 43.5 (10) |
O3A—Mo1A—Mo1B | 111.6 (12) | Co1B—Co2B—Mo2B | 117.54 (15) |
O2A—Mo1A—Mo1B | 40.3 (8) | O11Av—Co2B—K1Biii | 132.4 (11) |
O1B—Mo1A—Mo1B | 34.3 (7) | O3Bx—Co2B—K1Biii | 86.0 (10) |
O1A—Mo1A—K2B | 118.3 (10) | O7B—Co2B—K1Biii | 52.1 (7) |
O4A—Mo1A—K2B | 43.2 (5) | O12Bvi—Co2B—K1Biii | 51.3 (11) |
O3A—Mo1A—K2B | 59.1 (5) | O8Av—Co2B—K1Biii | 136.1 (5) |
O2A—Mo1A—K2B | 147.9 (7) | O11B—Co2B—K1Biii | 115.6 (8) |
O1B—Mo1A—K2B | 87.2 (6) | Co1B—Co2B—K1Biii | 94.4 (2) |
Mo1B—Mo1A—K2B | 117.5 (2) | Mo2B—Co2B—K1Biii | 80.50 (18) |
O1A—Mo1A—K1Bi | 101.1 (5) | O7Av—K1A—O3A | 76.1 (10) |
O4A—Mo1A—K1Bi | 44.5 (10) | O7Av—K1A—O4Bxi | 143.1 (7) |
O3A—Mo1A—K1Bi | 139.3 (4) | O3A—K1A—O4Bxi | 98.6 (9) |
O2A—Mo1A—K1Bi | 103.8 (7) | O7Av—K1A—O8Bxi | 144.3 (9) |
O1B—Mo1A—K1Bi | 49.3 (6) | O3A—K1A—O8Bxi | 134.4 (6) |
Mo1B—Mo1A—K1Bi | 72.7 (2) | O4Bxi—K1A—O8Bxi | 62.1 (8) |
K2B—Mo1A—K1Bi | 82.50 (16) | O7Av—K1A—O10Avii | 93.1 (8) |
O1A—Mo1A—K2Aii | 50.7 (10) | O3A—K1A—O10Avii | 138.9 (8) |
O4A—Mo1A—K2Aii | 134.1 (5) | O4Bxi—K1A—O10Avii | 66.7 (6) |
O3A—Mo1A—K2Aii | 119.9 (4) | O8Bxi—K1A—O10Avii | 74.3 (9) |
O2A—Mo1A—K2Aii | 42.1 (7) | O7Av—K1A—O7Bxi | 89.7 (9) |
O1B—Mo1A—K2Aii | 102.9 (6) | O3A—K1A—O7Bxi | 125.3 (7) |
Mo1B—Mo1A—K2Aii | 73.6 (2) | O4Bxi—K1A—O7Bxi | 120.7 (12) |
K2B—Mo1A—K2Aii | 168.8 (3) | O8Bxi—K1A—O7Bxi | 58.8 (8) |
K1Bi—Mo1A—K2Aii | 100.46 (16) | O10Avii—K1A—O7Bxi | 93.5 (8) |
O1A—Mo1A—K1A | 77.6 (8) | O7Av—K1A—O9B | 70.6 (6) |
O4A—Mo1A—K1A | 99.0 (11) | O3A—K1A—O9B | 66.6 (7) |
O3A—Mo1A—K1A | 32.2 (11) | O4Bxi—K1A—O9B | 141.3 (5) |
O2A—Mo1A—K1A | 113.0 (7) | O8Bxi—K1A—O9B | 101.8 (8) |
O1B—Mo1A—K1A | 142.2 (4) | O10Avii—K1A—O9B | 146.9 (6) |
Mo1B—Mo1A—K1A | 139.38 (19) | O7Bxi—K1A—O9B | 58.9 (9) |
K2B—Mo1A—K1A | 66.90 (18) | O7Av—K1A—O5Bxi | 121.0 (6) |
K1Bi—Mo1A—K1A | 143.1 (3) | O3A—K1A—O5Bxi | 89.8 (8) |
K2Aii—Mo1A—K1A | 106.09 (19) | O4Bxi—K1A—O5Bxi | 95.0 (6) |
O3B—Mo1B—O2B | 111.6 (11) | O8Bxi—K1A—O5Bxi | 54.9 (7) |
O3B—Mo1B—O4B | 101.7 (8) | O10Avii—K1A—O5Bxi | 128.1 (11) |
O2B—Mo1B—O4B | 100.8 (12) | O7Bxi—K1A—O5Bxi | 53.3 (5) |
O3B—Mo1B—O1B | 104.0 (11) | O9B—K1A—O5Bxi | 51.6 (8) |
O2B—Mo1B—O1B | 93.0 (11) | O7Av—K1A—Mo2Bxi | 122.2 (5) |
O4B—Mo1B—O1B | 143.7 (12) | O3A—K1A—Mo2Bxi | 120.5 (4) |
O3B—Mo1B—O2A | 95.0 (11) | O4Bxi—K1A—Mo2Bxi | 92.3 (8) |
O2B—Mo1B—O2A | 152.0 (9) | O8Bxi—K1A—Mo2Bxi | 33.4 (3) |
O4B—Mo1B—O2A | 81.0 (12) | O10Avii—K1A—Mo2Bxi | 99.0 (8) |
O1B—Mo1B—O2A | 71.7 (10) | O7Bxi—K1A—Mo2Bxi | 33.7 (5) |
O3B—Mo1B—Co1A | 113.0 (5) | O9B—K1A—Mo2Bxi | 68.9 (7) |
O2B—Mo1B—Co1A | 125.3 (5) | O5Bxi—K1A—Mo2Bxi | 30.8 (6) |
O4B—Mo1B—Co1A | 40.4 (11) | O7Av—K1A—O2Bxi | 147.7 (10) |
O1B—Mo1B—Co1A | 105.1 (7) | O3A—K1A—O2Bxi | 73.4 (9) |
O2A—Mo1B—Co1A | 43.5 (6) | O4Bxi—K1A—O2Bxi | 53.8 (4) |
O3B—Mo1B—Mo1A | 101.6 (13) | O8Bxi—K1A—O2Bxi | 61.8 (8) |
O2B—Mo1B—Mo1A | 125.9 (10) | O10Avii—K1A—O2Bxi | 117.0 (8) |
O4B—Mo1B—Mo1A | 113.0 (12) | O7Bxi—K1A—O2Bxi | 99.2 (6) |
O1B—Mo1B—Mo1A | 36.6 (8) | O9B—K1A—O2Bxi | 87.5 (5) |
O2A—Mo1B—Mo1A | 35.1 (7) | O5Bxi—K1A—O2Bxi | 49.1 (4) |
Co1A—Mo1B—Mo1A | 72.69 (19) | Mo2Bxi—K1A—O2Bxi | 67.1 (5) |
O3B—Mo1B—K2Aiii | 57.7 (6) | O7Av—K1A—Co2A | 38.2 (7) |
O2B—Mo1B—K2Aiii | 116.2 (10) | O3A—K1A—Co2A | 38.3 (6) |
O4B—Mo1B—K2Aiii | 44.1 (5) | O4Bxi—K1A—Co2A | 123.9 (9) |
O1B—Mo1B—K2Aiii | 149.2 (8) | O8Bxi—K1A—Co2A | 167.6 (4) |
O2A—Mo1B—K2Aiii | 84.7 (6) | O10Avii—K1A—Co2A | 117.7 (7) |
Co1A—Mo1B—K2Aiii | 66.91 (17) | O7Bxi—K1A—Co2A | 114.8 (8) |
Mo1A—Mo1B—K2Aiii | 117.5 (2) | O9B—K1A—Co2A | 66.6 (8) |
O3B—Mo1B—K1Aiii | 135.7 (11) | O5Bxi—K1A—Co2A | 112.7 (7) |
O2B—Mo1B—K1Aiii | 65.9 (6) | Mo2Bxi—K1A—Co2A | 135.5 (2) |
O4B—Mo1B—K1Aiii | 42.3 (6) | O2Bxi—K1A—Co2A | 111.6 (7) |
O1B—Mo1B—K1Aiii | 120.1 (5) | O7Av—K1A—Co1Axi | 131.2 (5) |
O2A—Mo1B—K1Aiii | 101.1 (6) | O3A—K1A—Co1Axi | 134.1 (4) |
Co1A—Mo1B—K1Aiii | 60.3 (2) | O4Bxi—K1A—Co1Axi | 36.2 (7) |
Mo1A—Mo1B—K1Aiii | 115.1 (2) | O8Bxi—K1A—Co1Axi | 46.6 (4) |
K2Aiii—Mo1B—K1Aiii | 82.94 (19) | O10Avii—K1A—Co1Axi | 38.1 (6) |
O3B—Mo1B—K2Biv | 115.5 (4) | O7Bxi—K1A—Co1Axi | 94.7 (8) |
O2B—Mo1B—K2Biv | 52.3 (10) | O9B—K1A—Co1Axi | 148.2 (9) |
O4B—Mo1B—K2Biv | 139.7 (5) | O5Bxi—K1A—Co1Axi | 99.5 (7) |
O1B—Mo1B—K2Biv | 40.7 (8) | Mo2Bxi—K1A—Co1Axi | 79.3 (4) |
O2A—Mo1B—K2Biv | 109.2 (7) | O2Bxi—K1A—Co1Axi | 79.3 (6) |
Co1A—Mo1B—K2Biv | 125.87 (18) | Co2A—K1A—Co1Axi | 145.1 (2) |
Mo1A—Mo1B—K2Biv | 75.4 (2) | O12Bviii—K1B—O4Aix | 118.6 (8) |
K2Aiii—Mo1B—K2Biv | 165.5 (3) | O12Bviii—K1B—O5Av | 95.0 (10) |
K1Aiii—Mo1B—K2Biv | 97.66 (16) | O4Aix—K1B—O5Av | 73.5 (7) |
O3B—Mo1B—K1Bi | 69.6 (9) | O12Bviii—K1B—O7Bxi | 62.7 (9) |
O2B—Mo1B—K1Bi | 94.8 (8) | O4Aix—K1B—O7Bxi | 148.7 (4) |
O4B—Mo1B—K1Bi | 164.2 (9) | O5Av—K1B—O7Bxi | 75.3 (7) |
O1B—Mo1B—K1Bi | 36.5 (5) | O12Bviii—K1B—O10B | 153.0 (6) |
O2A—Mo1B—K1Bi | 86.5 (7) | O4Aix—K1B—O10B | 75.7 (9) |
Co1A—Mo1B—K1Bi | 129.6 (3) | O5Av—K1B—O10B | 111.5 (11) |
Mo1A—Mo1B—K1Bi | 58.30 (19) | O7Bxi—K1B—O10B | 118.0 (8) |
K2Aiii—Mo1B—K1Bi | 125.27 (16) | O12Bviii—K1B—O1Bix | 68.0 (9) |
K1Aiii—Mo1B—K1Bi | 151.58 (12) | O4Aix—K1B—O1Bix | 51.9 (10) |
K2Biv—Mo1B—K1Bi | 54.25 (16) | O5Av—K1B—O1Bix | 66.1 (6) |
O3B—Mo1B—K2Aii | 64.7 (9) | O7Bxi—K1B—O1Bix | 112.5 (9) |
O2B—Mo1B—K2Aii | 175.6 (9) | O10B—K1B—O1Bix | 126.7 (9) |
O4B—Mo1B—K2Aii | 78.1 (9) | O12Bviii—K1B—O5Bvi | 101.0 (9) |
O1B—Mo1B—K2Aii | 90.3 (8) | O4Aix—K1B—O5Bvi | 59.4 (5) |
O2A—Mo1B—K2Aii | 32.3 (4) | O5Av—K1B—O5Bvi | 132.4 (7) |
Co1A—Mo1B—K2Aii | 56.41 (14) | O7Bxi—K1B—O5Bvi | 151.0 (8) |
Mo1A—Mo1B—K2Aii | 58.12 (18) | O10B—K1B—O5Bvi | 65.1 (8) |
K2Aiii—Mo1B—K2Aii | 60.05 (6) | O1Bix—K1B—O5Bvi | 79.0 (6) |
K1Aiii—Mo1B—K2Aii | 114.79 (16) | O12Bviii—K1B—O9Bviii | 59.2 (8) |
K2Biv—Mo1B—K2Aii | 131.0 (3) | O4Aix—K1B—O9Bviii | 112.9 (6) |
K1Bi—Mo1B—K2Aii | 86.12 (19) | O5Av—K1B—O9Bviii | 153.8 (12) |
O5A—Mo2A—O7A | 106.7 (14) | O7Bxi—K1B—O9Bviii | 94.7 (8) |
O5A—Mo2A—O6A | 113.3 (11) | O10B—K1B—O9Bviii | 94.6 (9) |
O7A—Mo2A—O6A | 103.7 (7) | O1Bix—K1B—O9Bviii | 97.0 (7) |
O5A—Mo2A—O8A | 109.6 (12) | O5Bvi—K1B—O9Bviii | 56.7 (9) |
O7A—Mo2A—O8A | 104.1 (10) | O12Bviii—K1B—O9B | 116.7 (9) |
O6A—Mo2A—O8A | 118.2 (14) | O4Aix—K1B—O9B | 124.0 (11) |
O5A—Mo2A—K2Aiii | 60.8 (5) | O5Av—K1B—O9B | 94.3 (6) |
O7A—Mo2A—K2Aiii | 125.5 (9) | O7Bxi—K1B—O9B | 59.8 (10) |
O6A—Mo2A—K2Aiii | 53.0 (10) | O10B—K1B—O9B | 58.3 (7) |
O8A—Mo2A—K2Aiii | 130.4 (5) | O1Bix—K1B—O9B | 160.4 (4) |
O5A—Mo2A—K1Bv | 47.7 (5) | O5Bvi—K1B—O9B | 116.8 (8) |
O7A—Mo2A—K1Bv | 92.8 (7) | O9Bviii—K1B—O9B | 101.6 (6) |
O6A—Mo2A—K1Bv | 158.7 (9) | O12Bviii—K1B—O8Av | 151.3 (5) |
O8A—Mo2A—K1Bv | 69.3 (10) | O4Aix—K1B—O8Av | 53.2 (7) |
K2Aiii—Mo2A—K1Bv | 106.2 (3) | O5Av—K1B—O8Av | 56.7 (10) |
O5A—Mo2A—K2Aii | 117.1 (5) | O7Bxi—K1B—O8Av | 108.9 (7) |
O7A—Mo2A—K2Aii | 128.4 (10) | O10B—K1B—O8Av | 55.7 (7) |
O6A—Mo2A—K2Aii | 35.0 (8) | O1Bix—K1B—O8Av | 93.4 (8) |
O8A—Mo2A—K2Aii | 86.1 (8) | O5Bvi—K1B—O8Av | 96.3 (9) |
K2Aiii—Mo2A—K2Aii | 63.32 (5) | O9Bviii—K1B—O8Av | 148.1 (9) |
K1Bv—Mo2A—K2Aii | 136.67 (15) | O9B—K1B—O8Av | 74.1 (7) |
O5A—Mo2A—K1Av | 82.5 (7) | O12Bviii—K1B—Co2Bxi | 37.1 (3) |
O7A—Mo2A—K1Av | 24.2 (13) | O4Aix—K1B—Co2Bxi | 123.4 (6) |
O6A—Mo2A—K1Av | 115.0 (6) | O5Av—K1B—Co2Bxi | 64.9 (9) |
O8A—Mo2A—K1Av | 112.8 (5) | O7Bxi—K1B—Co2Bxi | 36.8 (6) |
K2Aiii—Mo2A—K1Av | 113.6 (3) | O10B—K1B—Co2Bxi | 154.6 (4) |
K1Bv—Mo2A—K1Av | 75.84 (17) | O1Bix—K1B—Co2Bxi | 76.4 (7) |
K2Aii—Mo2A—K1Av | 147.47 (14) | O5Bvi—K1B—Co2Bxi | 137.3 (9) |
O5B—Mo2B—O8B | 105.1 (11) | O9Bviii—K1B—Co2Bxi | 92.5 (8) |
O5B—Mo2B—O7B | 102.8 (14) | O9B—K1B—Co2Bxi | 96.4 (7) |
O8B—Mo2B—O7B | 99.3 (8) | O8Av—K1B—Co2Bxi | 119.3 (4) |
O5B—Mo2B—O6Bvi | 98.2 (10) | O12Bviii—K1B—Mo3Bviii | 32.0 (3) |
O8B—Mo2B—O6Bvi | 101.2 (12) | O4Aix—K1B—Mo3Bviii | 128.9 (6) |
O7B—Mo2B—O6Bvi | 145.5 (11) | O5Av—K1B—Mo3Bviii | 126.2 (10) |
O5B—Mo2B—O11B | 164.2 (7) | O7Bxi—K1B—Mo3Bviii | 70.7 (7) |
O8B—Mo2B—O11B | 89.4 (11) | O10B—K1B—Mo3Bviii | 121.0 (5) |
O7B—Mo2B—O11B | 80.6 (11) | O1Bix—K1B—Mo3Bviii | 90.2 (8) |
O6Bvi—Mo2B—O11B | 72.2 (10) | O5Bvi—K1B—Mo3Bviii | 83.2 (8) |
O5B—Mo2B—O10Bvi | 91.7 (9) | O9Bviii—K1B—Mo3Bviii | 29.7 (7) |
O8B—Mo2B—O10Bvi | 162.4 (14) | O9B—K1B—Mo3Bviii | 102.8 (6) |
O7B—Mo2B—O10Bvi | 81.6 (7) | O8Av—K1B—Mo3Bviii | 176.2 (4) |
O6Bvi—Mo2B—O10Bvi | 70.6 (9) | Co2Bxi—K1B—Mo3Bviii | 62.8 (3) |
O11B—Mo2B—O10Bvi | 73.4 (8) | O4Bxi—K2A—O2Axii | 171.7 (5) |
O5B—Mo2B—Co2A | 150.9 (5) | O4Bxi—K2A—O6Axii | 118.6 (7) |
O8B—Mo2B—Co2A | 47.0 (11) | O2Axii—K2A—O6Axii | 68.2 (7) |
O7B—Mo2B—Co2A | 91.6 (9) | O4Bxi—K2A—O9A | 69.0 (8) |
O6Bvi—Mo2B—Co2A | 82.7 (8) | O2Axii—K2A—O9A | 105.5 (8) |
O11B—Mo2B—Co2A | 42.5 (4) | O6Axii—K2A—O9A | 105.0 (11) |
O10Bvi—Mo2B—Co2A | 115.6 (8) | O4Bxi—K2A—O6Axi | 65.1 (7) |
O5B—Mo2B—Co2B | 139.9 (9) | O2Axii—K2A—O6Axi | 108.9 (8) |
O8B—Mo2B—Co2B | 93.0 (5) | O6Axii—K2A—O6Axi | 170.3 (11) |
O7B—Mo2B—Co2B | 38.1 (12) | O9A—K2A—O6Axi | 84.7 (8) |
O6Bvi—Mo2B—Co2B | 113.1 (7) | O4Bxi—K2A—O1Axii | 119.3 (10) |
O11B—Mo2B—Co2B | 42.7 (7) | O2Axii—K2A—O1Axii | 57.0 (10) |
O10Bvi—Mo2B—Co2B | 76.8 (3) | O6Axii—K2A—O1Axii | 116.6 (6) |
Co2A—Mo2B—Co2B | 61.62 (14) | O9A—K2A—O1Axii | 117.7 (5) |
O5B—Mo2B—Mo3B | 130.0 (8) | O6Axi—K2A—O1Axii | 56.6 (6) |
O8B—Mo2B—Mo3B | 110.1 (12) | O4Bxi—K2A—O1A | 66.5 (9) |
O7B—Mo2B—Mo3B | 105.2 (11) | O2Axii—K2A—O1A | 117.3 (11) |
O6Bvi—Mo2B—Mo3B | 41.3 (7) | O6Axii—K2A—O1A | 57.8 (6) |
O11B—Mo2B—Mo3B | 35.7 (5) | O9A—K2A—O1A | 64.3 (6) |
O10Bvi—Mo2B—Mo3B | 53.3 (10) | O6Axi—K2A—O1A | 129.2 (5) |
Co2A—Mo2B—Mo3B | 67.72 (16) | O1Axii—K2A—O1A | 174.1 (9) |
Co2B—Mo2B—Mo3B | 72.30 (16) | O4Bxi—K2A—O3Bxi | 58.7 (5) |
O5B—Mo2B—K1Aiii | 74.5 (9) | O2Axii—K2A—O3Bxi | 128.8 (6) |
O8B—Mo2B—K1Aiii | 56.8 (12) | O6Axii—K2A—O3Bxi | 82.1 (8) |
O7B—Mo2B—K1Aiii | 61.4 (8) | O9A—K2A—O3Bxi | 122.5 (5) |
O6Bvi—Mo2B—K1Aiii | 152.1 (5) | O6Axi—K2A—O3Bxi | 93.3 (8) |
O11B—Mo2B—K1Aiii | 119.8 (6) | O1Axii—K2A—O3Bxi | 107.9 (9) |
O10Bvi—Mo2B—K1Aiii | 135.3 (9) | O1A—K2A—O3Bxi | 74.0 (8) |
Co2A—Mo2B—K1Aiii | 91.1 (2) | O4Bxi—K2A—O5Axi | 109.4 (5) |
Co2B—Mo2B—K1Aiii | 86.95 (18) | O2Axii—K2A—O5Axi | 62.4 (5) |
Mo3B—Mo2B—K1Aiii | 155.41 (18) | O6Axii—K2A—O5Axi | 122.8 (9) |
O5B—Mo2B—K1Bvi | 46.9 (5) | O9A—K2A—O5Axi | 64.7 (6) |
O8B—Mo2B—K1Bvi | 149.5 (12) | O6Axi—K2A—O5Axi | 60.5 (8) |
O7B—Mo2B—K1Bvi | 79.8 (7) | O1Axii—K2A—O5Axi | 54.3 (8) |
O6Bvi—Mo2B—K1Bvi | 95.5 (7) | O1A—K2A—O5Axi | 126.0 (9) |
O11B—Mo2B—K1Bvi | 120.1 (4) | O3Bxi—K2A—O5Axi | 153.1 (12) |
O10Bvi—Mo2B—K1Bvi | 48.1 (9) | O4Bxi—K2A—O9Axii | 105.3 (9) |
Co2A—Mo2B—K1Bvi | 162.22 (18) | O2Axii—K2A—O9Axii | 79.0 (8) |
Co2B—Mo2B—K1Bvi | 103.61 (14) | O6Axii—K2A—O9Axii | 86.1 (7) |
Mo3B—Mo2B—K1Bvi | 99.3 (2) | O9A—K2A—O9Axii | 168.9 (12) |
K1Aiii—Mo2B—K1Bvi | 98.3 (3) | O6Axi—K2A—O9Axii | 84.2 (9) |
O5B—Mo2B—K2Biv | 51.5 (10) | O1Axii—K2A—O9Axii | 55.9 (5) |
O8B—Mo2B—K2Biv | 88.9 (4) | O1A—K2A—O9Axii | 123.1 (5) |
O7B—Mo2B—K2Biv | 154.3 (12) | O3Bxi—K2A—O9Axii | 57.4 (5) |
O6Bvi—Mo2B—K2Biv | 53.5 (7) | O5Axi—K2A—O9Axii | 110.1 (7) |
O11B—Mo2B—K2Biv | 124.1 (8) | O4Bxi—K2A—Mo2Axi | 88.8 (5) |
O10Bvi—Mo2B—K2Biv | 97.8 (3) | O2Axii—K2A—Mo2Axi | 83.7 (5) |
Co2A—Mo2B—K2Biv | 111.3 (2) | O6Axii—K2A—Mo2Axi | 151.1 (4) |
Co2B—Mo2B—K2Biv | 166.5 (3) | O9A—K2A—Mo2Axi | 75.1 (6) |
Mo3B—Mo2B—K2Biv | 94.5 (2) | O6Axi—K2A—Mo2Axi | 30.3 (4) |
K1Aiii—Mo2B—K2Biv | 105.1 (2) | O1Axii—K2A—Mo2Axi | 46.2 (3) |
K1Bvi—Mo2B—K2Biv | 80.88 (17) | O1A—K2A—Mo2Axi | 137.7 (4) |
O9A—Mo3A—O10A | 108.7 (15) | O3Bxi—K2A—Mo2Axi | 122.9 (8) |
O9A—Mo3A—O12A | 108.2 (10) | O5Axi—K2A—Mo2Axi | 30.4 (8) |
O10A—Mo3A—O12A | 113.0 (10) | O9Axii—K2A—Mo2Axi | 95.6 (5) |
O9A—Mo3A—O11A | 111.5 (9) | O4Bxi—K2A—Co1Axii | 152.3 (6) |
O10A—Mo3A—O11A | 107.1 (8) | O2Axii—K2A—Co1Axii | 35.2 (5) |
O12A—Mo3A—O11A | 108.4 (14) | O6Axii—K2A—Co1Axii | 33.9 (3) |
O9A—Mo3A—K1A | 64.1 (6) | O9A—K2A—Co1Axii | 114.3 (8) |
O10A—Mo3A—K1A | 73.2 (6) | O6Axi—K2A—Co1Axii | 141.0 (4) |
O12A—Mo3A—K1A | 75.6 (10) | O1Axii—K2A—Co1Axii | 84.6 (5) |
O11A—Mo3A—K1A | 175.1 (10) | O1A—K2A—Co1Axii | 89.5 (5) |
O9A—Mo3A—K1Avii | 97.2 (10) | O3Bxi—K2A—Co1Axii | 102.6 (4) |
O10A—Mo3A—K1Avii | 38.0 (5) | O5Axi—K2A—Co1Axii | 95.8 (5) |
O12A—Mo3A—K1Avii | 148.0 (5) | O9Axii—K2A—Co1Axii | 75.3 (5) |
O11A—Mo3A—K1Avii | 78.7 (9) | Mo2Axi—K2A—Co1Axii | 118.83 (14) |
K1A—Mo3A—K1Avii | 99.43 (14) | O1Bxiii—K2B—O4A | 140.9 (5) |
O9A—Mo3A—K2Aii | 57.5 (11) | O1Bxiii—K2B—O5Bxi | 83.4 (9) |
O10A—Mo3A—K2Aii | 166.2 (11) | O4A—K2B—O5Bxi | 116.6 (9) |
O12A—Mo3A—K2Aii | 74.7 (5) | O1Bxiii—K2B—O9B | 101.4 (5) |
O11A—Mo3A—K2Aii | 79.9 (5) | O4A—K2B—O9B | 117.7 (5) |
K1A—Mo3A—K2Aii | 98.81 (16) | O5Bxi—K2B—O9B | 57.5 (9) |
K1Avii—Mo3A—K2Aii | 136.77 (16) | O1Bxiii—K2B—O6Bvi | 108.0 (8) |
O9B—Mo3B—O12B | 102.1 (14) | O4A—K2B—O6Bvi | 89.4 (10) |
O9B—Mo3B—O10B | 103.7 (13) | O5Bxi—K2B—O6Bvi | 123.1 (6) |
O12B—Mo3B—O10B | 95.5 (6) | O9B—K2B—O6Bvi | 65.6 (9) |
O9B—Mo3B—O11B | 101.5 (12) | O1Bxiii—K2B—O5Bxiii | 87.0 (6) |
O12B—Mo3B—O11B | 150.3 (16) | O4A—K2B—O5Bxiii | 57.9 (5) |
O10B—Mo3B—O11B | 96.1 (9) | O5Bxi—K2B—O5Bxiii | 148.2 (12) |
O9B—Mo3B—O6Bvi | 109.6 (11) | O9B—K2B—O5Bxiii | 154.2 (12) |
O12B—Mo3B—O6Bvi | 80.7 (10) | O6Bvi—K2B—O5Bxiii | 88.6 (10) |
O10B—Mo3B—O6Bvi | 146.6 (14) | O1Bxiii—K2B—O6Bi | 75.5 (6) |
O11B—Mo3B—O6Bvi | 74.6 (9) | O4A—K2B—O6Bi | 70.9 (8) |
O9B—Mo3B—Co1Bvi | 129.8 (5) | O5Bxi—K2B—O6Bi | 91.5 (10) |
O12B—Mo3B—Co1Bvi | 44.7 (12) | O9B—K2B—O6Bi | 148.9 (11) |
O10B—Mo3B—Co1Bvi | 114.1 (7) | O6Bvi—K2B—O6Bi | 145.2 (12) |
O11B—Mo3B—Co1Bvi | 105.8 (10) | O5Bxiii—K2B—O6Bi | 56.7 (8) |
O6Bvi—Mo3B—Co1Bvi | 43.0 (4) | O1Bxiii—K2B—O2Bxi | 118.3 (12) |
O9B—Mo3B—Mo2B | 124.8 (8) | O4A—K2B—O2Bxi | 61.3 (9) |
O12B—Mo3B—Mo2B | 109.0 (12) | O5Bxi—K2B—O2Bxi | 56.8 (6) |
O10B—Mo3B—Mo2B | 116.9 (12) | O9B—K2B—O2Bxi | 94.4 (7) |
O11B—Mo3B—Mo2B | 41.7 (9) | O6Bvi—K2B—O2Bxi | 132.6 (5) |
O6Bvi—Mo3B—Mo2B | 37.9 (8) | O5Bxiii—K2B—O2Bxi | 103.0 (6) |
Co1Bvi—Mo3B—Mo2B | 64.32 (15) | O6Bi—K2B—O2Bxi | 62.3 (5) |
O9B—Mo3B—K2B | 59.7 (5) | O1Bxiii—K2B—O2Bxiii | 56.8 (9) |
O12B—Mo3B—K2B | 65.3 (6) | O4A—K2B—O2Bxiii | 106.1 (9) |
O10B—Mo3B—K2B | 148.2 (11) | O5Bxi—K2B—O2Bxiii | 136.4 (6) |
O11B—Mo3B—K2B | 113.1 (5) | O9B—K2B—O2Bxiii | 110.1 (7) |
O6Bvi—Mo3B—K2B | 58.9 (9) | O6Bvi—K2B—O2Bxiii | 63.2 (7) |
Co1Bvi—Mo3B—K2B | 71.0 (2) | O5Bxiii—K2B—O2Bxiii | 54.7 (5) |
Mo2B—Mo3B—K2B | 93.9 (2) | O6Bi—K2B—O2Bxiii | 94.3 (7) |
O9B—Mo3B—K1Bviii | 57.8 (7) | O2Bxi—K2B—O2Bxiii | 155.5 (2) |
O12B—Mo3B—K1Bviii | 49.9 (12) | O1Bxiii—K2B—O12B | 64.1 (7) |
O10B—Mo3B—K1Bviii | 84.8 (10) | O4A—K2B—O12B | 140.2 (12) |
O11B—Mo3B—K1Bviii | 158.6 (11) | O5Bxi—K2B—O12B | 92.6 (8) |
O6Bvi—Mo3B—K1Bviii | 115.5 (8) | O9B—K2B—O12B | 54.8 (5) |
Co1Bvi—Mo3B—K1Bviii | 93.2 (2) | O6Bvi—K2B—O12B | 51.0 (8) |
Mo2B—Mo3B—K1Bviii | 153.16 (13) | O5Bxiii—K2B—O12B | 110.2 (8) |
K2B—Mo3B—K1Bviii | 63.4 (2) | O6Bi—K2B—O12B | 138.5 (4) |
O9B—Mo3B—K1B | 56.0 (6) | O2Bxi—K2B—O12B | 146.7 (7) |
O12B—Mo3B—K1B | 107.2 (11) | O2Bxiii—K2B—O12B | 56.4 (5) |
O10B—Mo3B—K1B | 47.8 (11) | O1Bxiii—K2B—O3A | 161.0 (5) |
O11B—Mo3B—K1B | 100.8 (8) | O4A—K2B—O3A | 57.7 (4) |
O6Bvi—Mo3B—K1B | 164.3 (7) | O5Bxi—K2B—O3A | 89.7 (7) |
Co1Bvi—Mo3B—K1B | 149.74 (13) | O9B—K2B—O3A | 60.2 (5) |
Mo2B—Mo3B—K1B | 142.04 (15) | O6Bvi—K2B—O3A | 61.6 (7) |
K2B—Mo3B—K1B | 111.4 (3) | O5Bxiii—K2B—O3A | 107.6 (7) |
K1Bviii—Mo3B—K1B | 64.12 (15) | O6Bi—K2B—O3A | 122.5 (5) |
O4B—Co1A—O6A | 93.9 (10) | O2Bxi—K2B—O3A | 71.1 (8) |
O4B—Co1A—O12A | 161.2 (8) | O2Bxiii—K2B—O3A | 122.0 (10) |
O6A—Co1A—O12A | 100.7 (11) | O12B—K2B—O3A | 98.8 (6) |
O4B—Co1A—O2A | 79.6 (11) | O1Bxiii—K2B—Co1Bi | 114.2 (6) |
O6A—Co1A—O2A | 92.9 (7) | O4A—K2B—Co1Bi | 38.3 (8) |
O12A—Co1A—O2A | 87.8 (12) | O5Bxi—K2B—Co1Bi | 91.8 (5) |
O4B—Co1A—O10Av | 93.7 (12) | O9B—K2B—Co1Bi | 129.8 (5) |
O6A—Co1A—O10Av | 97.5 (8) | O6Bvi—K2B—Co1Bi | 127.7 (5) |
O12A—Co1A—O10Av | 96.1 (10) | O5Bxiii—K2B—Co1Bi | 64.9 (5) |
O2A—Co1A—O10Av | 168.0 (8) | O6Bi—K2B—Co1Bi | 38.9 (3) |
O4B—Co1A—Mo1B | 35.8 (8) | O2Bxi—K2B—Co1Bi | 38.1 (4) |
O6A—Co1A—Mo1B | 105.9 (5) | O2Bxiii—K2B—Co1Bi | 118.6 (4) |
O12A—Co1A—Mo1B | 127.1 (6) | O12B—K2B—Co1Bi | 175.1 (6) |
O2A—Co1A—Mo1B | 46.6 (10) | O3A—K2B—Co1Bi | 83.6 (4) |
O10Av—Co1A—Mo1B | 124.0 (8) | Mo1A—O1A—K2Aii | 101.5 (16) |
O4B—Co1A—Co2A | 122.1 (5) | Mo1A—O1A—K2A | 162.0 (9) |
O6A—Co1A—Co2A | 141.3 (11) | K2Aii—O1A—K2A | 83.2 (3) |
O12A—Co1A—Co2A | 41.2 (4) | Mo1B—O1B—Mo1A | 109.1 (6) |
O2A—Co1A—Co2A | 81.3 (7) | Mo1B—O1B—K2Biv | 110.4 (16) |
O10Av—Co1A—Co2A | 94.2 (7) | Mo1A—O1B—K2Biv | 134.2 (14) |
Mo1B—Co1A—Co2A | 97.65 (13) | Mo1B—O1B—K1Bi | 119.3 (10) |
O4B—Co1A—K1Aiii | 50.4 (6) | Mo1A—O1B—K1Bi | 96.9 (13) |
O6A—Co1A—K1Aiii | 126.9 (11) | K2Biv—O1B—K1Bi | 83.3 (4) |
O12A—Co1A—K1Aiii | 124.8 (6) | Mo1A—O2A—Co1A | 136.4 (10) |
O2A—Co1A—K1Aiii | 112.6 (8) | Mo1A—O2A—Mo1B | 104.6 (6) |
O10Av—Co1A—K1Aiii | 56.0 (7) | Co1A—O2A—Mo1B | 89.9 (15) |
Mo1B—Co1A—K1Aiii | 69.40 (17) | Mo1A—O2A—K2Aii | 108.1 (15) |
Co2A—Co1A—K1Aiii | 89.9 (2) | Co1A—O2A—K2Aii | 98.0 (5) |
O4B—Co1A—K2Aii | 94.2 (7) | Mo1B—O2A—K2Aii | 121.3 (11) |
O6A—Co1A—K2Aii | 47.5 (8) | Mo1B—O2B—Co1Bxiv | 116.4 (8) |
O12A—Co1A—K2Aii | 87.2 (7) | Mo1B—O2B—K2Biii | 166.1 (7) |
O2A—Co1A—K2Aii | 46.8 (4) | Co1Bxiv—O2B—K2Biii | 75.6 (9) |
O10Av—Co1A—K2Aii | 144.5 (4) | Mo1B—O2B—K2Biv | 99.8 (15) |
Mo1B—Co1A—K2Aii | 78.86 (15) | Co1Bxiv—O2B—K2Biv | 93.3 (6) |
Co2A—Co1A—K2Aii | 110.5 (3) | K2Biii—O2B—K2Biv | 85.6 (3) |
K1Aiii—Co1A—K2Aii | 144.4 (3) | Mo1B—O2B—K1Aiii | 84.8 (5) |
O4B—Co1A—K2Aiii | 43.4 (4) | Co1Bxiv—O2B—K1Aiii | 135.7 (16) |
O6A—Co1A—K2Aiii | 50.5 (9) | K2Biii—O2B—K1Aiii | 81.5 (6) |
O12A—Co1A—K2Aiii | 149.3 (6) | K2Biv—O2B—K1Aiii | 122.4 (7) |
O2A—Co1A—K2Aiii | 84.0 (8) | Mo1A—O3A—Co2A | 123.8 (17) |
O10Av—Co1A—K2Aiii | 98.0 (8) | Mo1A—O3A—K1A | 125.5 (14) |
Mo1B—Co1A—K2Aiii | 63.99 (14) | Co2A—O3A—K1A | 92.3 (7) |
Co2A—Co1A—K2Aiii | 161.53 (13) | Mo1A—O3A—K2B | 91.0 (5) |
K1Aiii—Co1A—K2Aiii | 85.5 (3) | Co2A—O3A—K2B | 130.4 (7) |
K2Aii—Co1A—K2Aiii | 65.82 (6) | K1A—O3A—K2B | 93.8 (10) |
O4Aix—Co1B—O8Av | 88.3 (11) | Mo1B—O3B—Co2Bxiv | 125.5 (7) |
O4Aix—Co1B—O2Bx | 92.3 (11) | Mo1B—O3B—K2Aiii | 92.6 (7) |
O8Av—Co1B—O2Bx | 107.3 (8) | Co2Bxiv—O3B—K2Aiii | 129.4 (13) |
O4Aix—Co1B—O6B | 108.0 (11) | Mo1A—O4A—Co1Bi | 130.6 (16) |
O8Av—Co1B—O6B | 148.9 (6) | Mo1A—O4A—K2B | 108.8 (7) |
O2Bx—Co1B—O6B | 98.6 (9) | Co1Bi—O4A—K2B | 86.4 (12) |
O4Aix—Co1B—O12Bvi | 176.2 (5) | Mo1A—O4A—K1Bi | 107.5 (14) |
O8Av—Co1B—O12Bvi | 88.2 (11) | Co1Bi—O4A—K1Bi | 95.6 (6) |
O2Bx—Co1B—O12Bvi | 87.4 (12) | K2B—O4A—K1Bi | 129.5 (7) |
O6B—Co1B—O12Bvi | 75.9 (11) | Mo1B—O4B—Co1A | 103.9 (19) |
O4Aix—Co1B—O10B | 99.1 (12) | Mo1B—O4B—K2Aiii | 107.0 (7) |
O8Av—Co1B—O10B | 82.4 (6) | Co1A—O4B—K2Aiii | 104.5 (7) |
O2Bx—Co1B—O10B | 165.4 (11) | Mo1B—O4B—K1Aiii | 110.0 (6) |
O6B—Co1B—O10B | 69.2 (7) | Co1A—O4B—K1Aiii | 93.5 (6) |
O12Bvi—Co1B—O10B | 81.9 (11) | K2Aiii—O4B—K1Aiii | 133.3 (15) |
O4Aix—Co1B—Co2B | 132.7 (4) | Mo2A—O5A—K1Bv | 103.1 (12) |
O8Av—Co1B—Co2B | 45.2 (11) | Mo2A—O5A—K2Aiii | 88.8 (8) |
O2Bx—Co1B—Co2B | 94.1 (8) | K1Bv—O5A—K2Aiii | 156.9 (7) |
O6B—Co1B—Co2B | 117.3 (9) | Mo2B—O5B—K2Biii | 161.2 (12) |
O12Bvi—Co1B—Co2B | 43.6 (4) | Mo2B—O5B—K1Bvi | 106.2 (8) |
O10B—Co1B—Co2B | 85.0 (6) | K2Biii—O5B—K1Bvi | 80.9 (9) |
O4Aix—Co1B—Mo3Bvi | 145.9 (6) | Mo2B—O5B—K2Biv | 101.1 (15) |
O8Av—Co1B—Mo3Bvi | 108.3 (7) | K2Biii—O5B—K2Biv | 91.8 (5) |
O2Bx—Co1B—Mo3Bvi | 109.9 (9) | K1Bvi—O5B—K2Biv | 112.8 (5) |
O6B—Co1B—Mo3Bvi | 45.0 (7) | Mo2B—O5B—K1Aiii | 74.6 (5) |
O12Bvi—Co1B—Mo3Bvi | 37.2 (4) | K2Biii—O5B—K1Aiii | 86.7 (9) |
O10B—Co1B—Mo3Bvi | 55.9 (9) | K1Bvi—O5B—K1Aiii | 120.2 (10) |
Co2B—Co1B—Mo3Bvi | 72.94 (17) | K2Biv—O5B—K1Aiii | 125.9 (5) |
O4Aix—Co1B—K2Bix | 55.3 (5) | Mo2A—O6A—Co1A | 136.7 (10) |
O8Av—Co1B—K2Bix | 141.3 (9) | Mo2A—O6A—K2Aii | 122.2 (10) |
O2Bx—Co1B—K2Bix | 66.2 (7) | Co1A—O6A—K2Aii | 98.6 (9) |
O6B—Co1B—K2Bix | 65.5 (6) | Mo2A—O6A—K2Aiii | 96.6 (13) |
O12Bvi—Co1B—K2Bix | 127.7 (6) | Co1A—O6A—K2Aiii | 96.5 (9) |
O10B—Co1B—K2Bix | 113.2 (6) | K2Aii—O6A—K2Aiii | 91.1 (4) |
Co2B—Co1B—K2Bix | 160.1 (3) | Mo2Bvi—O6B—Co1B | 109.3 (16) |
Mo3Bvi—Co1B—K2Bix | 109.67 (17) | Mo2Bvi—O6B—Mo3Bvi | 100.8 (6) |
O4Aix—Co1B—K1B | 50.0 (7) | Co1B—O6B—Mo3Bvi | 92.0 (7) |
O8Av—Co1B—K1B | 69.6 (11) | Mo2Bvi—O6B—K2Bvi | 155.1 (8) |
O2Bx—Co1B—K1B | 141.5 (10) | Co1B—O6B—K2Bvi | 95.3 (10) |
O6B—Co1B—K1B | 100.3 (11) | Mo3Bvi—O6B—K2Bvi | 82.1 (13) |
O12Bvi—Co1B—K1B | 129.7 (6) | Mo2Bvi—O6B—K2Bix | 94.1 (13) |
O10B—Co1B—K1B | 51.7 (9) | Co1B—O6B—K2Bix | 75.6 (7) |
Co2B—Co1B—K1B | 106.4 (2) | Mo3Bvi—O6B—K2Bix | 163.1 (10) |
Mo3Bvi—Co1B—K1B | 107.20 (17) | K2Bvi—O6B—K2Bix | 87.6 (5) |
K2Bix—Co1B—K1B | 91.9 (3) | Mo2A—O7A—Co2Av | 123.8 (19) |
O4Aix—Co1B—K2Bvi | 126.3 (6) | Mo2A—O7A—K1Av | 138.7 (19) |
O8Av—Co1B—K2Bvi | 137.1 (12) | Co2Av—O7A—K1Av | 93.8 (6) |
O2Bx—Co1B—K2Bvi | 53.7 (7) | Mo2B—O7B—Co2B | 109 (2) |
O6B—Co1B—K2Bvi | 51.2 (10) | Mo2B—O7B—K1Biii | 139.1 (6) |
O12Bvi—Co1B—K2Bvi | 56.2 (6) | Co2B—O7B—K1Biii | 91.0 (6) |
O10B—Co1B—K2Bvi | 111.7 (7) | Mo2B—O7B—K1Aiii | 84.9 (6) |
Co2B—Co1B—K2Bvi | 94.1 (3) | Co2B—O7B—K1Aiii | 126.2 (5) |
Mo3Bvi—Co1B—K2Bvi | 58.87 (16) | K1Biii—O7B—K1Aiii | 112.4 (14) |
K2Bix—Co1B—K2Bvi | 72.10 (15) | Mo2A—O8A—Co1Bv | 146.5 (19) |
K1B—Co1B—K2Bvi | 150.90 (17) | Mo2A—O8A—Co2Bv | 120.2 (10) |
O12A—Co2A—O7Av | 91.9 (10) | Co1Bv—O8A—Co2Bv | 92.8 (14) |
O12A—Co2A—O3A | 94.7 (8) | Mo2A—O8A—K1Bv | 80.3 (13) |
O7Av—Co2A—O3A | 96.9 (12) | Co1Bv—O8A—K1Bv | 76.4 (9) |
O12A—Co2A—O11B | 164.0 (14) | Co2Bv—O8A—K1Bv | 141.3 (6) |
O7Av—Co2A—O11B | 90.9 (11) | Mo2B—O8B—Co2A | 97.4 (11) |
O3A—Co2A—O11B | 100.5 (8) | Mo2B—O8B—K1Aiii | 89.9 (13) |
O12A—Co2A—O11Av | 84.5 (8) | Co2A—O8B—K1Aiii | 129.6 (6) |
O7Av—Co2A—O11Av | 85.7 (10) | Mo3A—O9A—K2A | 171.0 (10) |
O3A—Co2A—O11Av | 177.4 (13) | Mo3A—O9A—K2Aii | 98.0 (15) |
O11B—Co2A—O11Av | 80.0 (8) | K2A—O9A—K2Aii | 77.1 (4) |
O12A—Co2A—O8B | 95.5 (10) | Mo3B—O9B—K2B | 89.8 (9) |
O7Av—Co2A—O8B | 171.2 (7) | Mo3B—O9B—K1Bviii | 92.5 (6) |
O3A—Co2A—O8B | 87.3 (10) | K2B—O9B—K1Bviii | 75.9 (4) |
O11B—Co2A—O8B | 80.6 (11) | Mo3B—O9B—K1A | 138.3 (15) |
O11Av—Co2A—O8B | 90.3 (11) | K2B—O9B—K1A | 90.0 (5) |
O12A—Co2A—Co1A | 42.2 (10) | K1Bviii—O9B—K1A | 127.7 (14) |
O7Av—Co2A—Co1A | 133.4 (4) | Mo3B—O9B—K1B | 95.9 (7) |
O3A—Co2A—Co1A | 95.1 (7) | K2B—O9B—K1B | 153.9 (10) |
O11B—Co2A—Co1A | 130.5 (12) | K1Bviii—O9B—K1B | 78.4 (6) |
O11Av—Co2A—Co1A | 82.6 (7) | K1A—O9B—K1B | 102.2 (8) |
O8B—Co2A—Co1A | 53.5 (4) | Mo3A—O10A—Co1Av | 110.1 (18) |
O12A—Co2A—Mo2B | 130.2 (11) | Mo3A—O10A—K1Avii | 118.8 (6) |
O7Av—Co2A—Mo2B | 136.0 (4) | Co1Av—O10A—K1Avii | 85.8 (5) |
O3A—Co2A—Mo2B | 92.4 (7) | Mo3B—O10B—Mo2Bvi | 138.5 (7) |
O11B—Co2A—Mo2B | 45.1 (9) | Mo3B—O10B—Co1B | 131.3 (11) |
O11Av—Co2A—Mo2B | 86.2 (7) | Mo2Bvi—O10B—Co1B | 88.3 (5) |
O8B—Co2A—Mo2B | 35.6 (3) | Mo3B—O10B—K1B | 101.9 (12) |
Co1A—Co2A—Mo2B | 88.0 (2) | Mo2Bvi—O10B—K1B | 92.0 (11) |
O12A—Co2A—K1A | 89.0 (11) | Co1B—O10B—K1B | 85.3 (7) |
O7Av—Co2A—K1A | 48.0 (8) | Mo3A—O11A—Co2Bv | 133.7 (18) |
O3A—Co2A—K1A | 49.4 (9) | Mo3A—O11A—Co2Av | 120.7 (7) |
O11B—Co2A—K1A | 104.5 (12) | Co2Bv—O11A—Co2Av | 100.5 (7) |
O11Av—Co2A—K1A | 133.0 (9) | Mo3B—O11B—Co2A | 122.3 (17) |
O8B—Co2A—K1A | 136.7 (7) | Mo3B—O11B—Co2B | 135.0 (7) |
Co1A—Co2A—K1A | 120.9 (2) | Co2A—O11B—Co2B | 98.2 (7) |
Mo2B—Co2A—K1A | 130.31 (17) | Mo3B—O11B—Mo2B | 102.5 (7) |
O11Av—Co2B—O3Bx | 90.0 (6) | Co2A—O11B—Mo2B | 92.4 (9) |
O11Av—Co2B—O7B | 95.2 (9) | Co2B—O11B—Mo2B | 93.8 (16) |
O3Bx—Co2B—O7B | 125.7 (14) | Mo3A—O12A—Co2A | 132.4 (19) |
O11Av—Co2B—O12Bvi | 175.2 (14) | Mo3A—O12A—Co1A | 130.0 (9) |
O3Bx—Co2B—O12Bvi | 93.4 (6) | Co2A—O12A—Co1A | 96.6 (11) |
O7B—Co2B—O12Bvi | 85.5 (9) | Mo3B—O12B—Co2Bvi | 132.1 (10) |
O11Av—Co2B—O8Av | 90.0 (11) | Mo3B—O12B—Co1Bvi | 98.1 (15) |
O3Bx—Co2B—O8Av | 82.5 (12) | Co2Bvi—O12B—Co1Bvi | 90.5 (12) |
O7B—Co2B—O8Av | 151.2 (10) | Mo3B—O12B—K1Bviii | 98.0 (13) |
O12Bvi—Co2B—O8Av | 87.2 (12) | Co2Bvi—O12B—K1Bviii | 91.6 (12) |
O11Av—Co2B—O11B | 81.2 (8) | Co1Bvi—O12B—K1Bviii | 156.2 (9) |
O3Bx—Co2B—O11B | 156.9 (14) | Mo3B—O12B—K2B | 81.8 (5) |
O7B—Co2B—O11B | 76.6 (10) | Co2Bvi—O12B—K2B | 145.8 (9) |
O12Bvi—Co2B—O11B | 94.3 (8) | Co1Bvi—O12B—K2B | 88.5 (6) |
O8Av—Co2B—O11B | 76.2 (11) | K1Bviii—O12B—K2B | 76.6 (9) |
Symmetry codes: (i) x, −y+1/2, z−1/2; (ii) −x+1, y+1/2, −z+1/2; (iii) x, y+1, z; (iv) −x, y+1/2, −z+1/2; (v) −x+1, −y+1, −z+1; (vi) −x, −y+1, −z+1; (vii) −x+1, −y, −z+1; (viii) −x, −y, −z+1; (ix) x, −y+1/2, z+1/2; (x) x, −y+3/2, z+1/2; (xi) x, y−1, z; (xii) −x+1, y−1/2, −z+1/2; (xiii) −x, y−1/2, −z+1/2; (xiv) x, −y+3/2, z−1/2. |
Experimental details
| (alpha) | (beta) | (II) |
Crystal data |
Chemical formula | Co2K2Mo3O12 | Co2K2Mo3O12 | Co2K2Mo3O12 |
Mr | 675.88 | 675.88 | 675.88 |
Crystal system, space group | Monoclinic, P21/c | Monoclinic, C2/c | Monoclinic, P21/c |
Temperature (K) | 293 | 298 | 298 |
a, b, c (Å) | 7.0093 (1), 8.9624 (2), 19.9977 (4) | 7.0418 (3), 19.3329 (7), 17.7267 (7) | 13.5237 (8), 7.6440 (4), 18.850 (1) |
α, β, γ (°) | 90, 108.247 (2), 90 | 90, 97.608 (4), 90 | 90, 104.260 (6), 90 |
V (Å3) | 1193.09 (4) | 2392.04 (16) | 1888.58 (18) |
Z | 4 | 8 | 8 |
Radiation type | Mo Kα | Mo Kα | Mo Kα |
µ (mm−1) | 6.59 | 6.53 | 8.26 |
Crystal size (mm) | 0.14 × 0.11 × 0.06 | 0.12 × 0.04 × 0.03 | 0.11 × 0.05 × 0.03 |
|
Data collection |
Diffractometer | Oxford Diffraction Xcalibur (TM) Single Crystal X-ray Diffractometer
with Sapphire CCD Detector. | Oxford Diffraction Xcalibur (TM) Single Crystal X-ray Diffractometer
with Sapphire CCD Detector. | Oxford Diffraction Xcalibur (TM) Single Crystal X-ray Diffractometer
with Sapphire CCD Detector. |
Absorption correction | Analytical CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.4 (release 06-08-2006 CrysAlis171 .NET)
(compiled Aug 6 2006,16:44:45)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) | Analytical CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.4 (release 06-08-2006 CrysAlis171 .NET)
(compiled Aug 6 2006,16:44:45)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) | – |
Tmin, Tmax | 0.573, 0.751 | 0.509, 0.871 | – |
No. of measured, independent and observed [I > 2σ(I)] reflections | 8014, 2435, 2152 | 15336, 3025, 1739 | 7020, 1154, 791 |
Rint | 0.017 | 0.071 | 0.130 |
(sin θ/λ)max (Å−1) | 0.625 | 0.687 | 0.617 |
|
Refinement |
R[F2 > 2σ(F2)], wR(F2), S | 0.028, 0.137, 1.24 | 0.038, 0.121, 1.05 | 0.047, 0.110, 1.05 |
No. of reflections | 2435 | 3025 | 1154 |
No. of parameters | 173 | 178 | 195 |
Δρmax, Δρmin (e Å−3) | 2.94, −1.61 | 1.76, −1.78 | 1.07, −0.89 |