The title compound, {[Yb2(C4H4O4)3(H2O)4]·6H2O}n, is a two-dimensional open-framework built up from centrosymmetric binuclear units developed along [100] through the spacers of four extended ligands, and interconnected along [101] by two twisted ligands, forming a layered coordination polymer in the (010) plane embedding six uncoordinated water molecules. The water-coordinated YbIII atom completes a nine-coordination mode via seven O atoms from four carboxylate ligands, in a monocapped square antiprism. One independent succinate ligand, located on an inversion center, is in a bidentate coordination mode, exhibiting an anti conformation. The second independent succinate ligand, in a gauche conformation, is bidentate and bridging–chelating, involving one triply ligating O atom displaying the longest Yb—O bond [2.598 (2) Å]. In addition to interlayer hydrogen bonds, intralayer hydrogen bonds involve, as acceptors, carboxylate O atoms which are in bidentate mode.
Supporting information
CCDC reference: 624907
Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean (C-C) = 0.004 Å
- R factor = 0.024
- wR factor = 0.065
- Data-to-parameter ratio = 27.5
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT417_ALERT_2_C Short Inter D-H..H-D H31 .. H41 .. 2.13 Ang.
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
2 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
1 ALERT type 2 Indicator that the structure model may be wrong or deficient
0 ALERT type 3 Indicator that the structure quality may be low
0 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: KappaCCD Software (Nonius, 1999); cell refinement: DIRAX/LSQ (Duisenberg, 1992); data reduction: EVALCCD (Duisenberg et al., 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
Poly[[tetraaquadi-µ
4-succinato-µ
5– succinato-diyterbium (III)]
hexahydrate]
top
Crystal data top
[Yb2(C4H4O4)3(H2O)4]·3H2O | Z = 2 |
Mr = 437.23 | F(000) = 420 |
Triclinic, P1 | Dx = 2.389 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71069 Å |
a = 6.457 (5) Å | Cell parameters from 29166 reflections |
b = 9.741 (5) Å | θ = 2.7–35.0° |
c = 10.384 (5) Å | µ = 7.75 mm−1 |
α = 79.959 (5)° | T = 100 K |
β = 89.571 (5)° | Prism, colourless |
γ = 71.133 (5)° | 0.46 × 0.17 × 0.05 mm |
V = 607.7 (6) Å3 | |
Data collection top
Nonius KappaCCD diffractometer | 5330 independent reflections |
Radiation source: fine-focus sealed tube | 5008 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.059 |
ω scans | θmax = 35.0°, θmin = 2.7° |
Absorption correction: numerical (ABSORB; De Titta, 1988) | h = −10→10 |
Tmin = 0.184, Tmax = 0.690 | k = −15→15 |
29166 measured reflections | l = −16→16 |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.024 | H-atom parameters constrained |
wR(F2) = 0.065 | w = 1/[σ2(Fo2) + (0.0401P)2 + 1.5702P] where P = (Fo2 + 2Fc2)/3 |
S = 1.06 | (Δ/σ)max = 0.002 |
5330 reflections | Δρmax = 2.23 e Å−3 |
194 parameters | Δρmin = −3.31 e Å−3 |
8 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0182 (9) |
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 | |
O1 | 0.4061 (3) | 0.4799 (2) | 0.65756 (19) | 0.0110 (3) | |
O2 | 0.0736 (3) | 0.6188 (2) | 0.68644 (19) | 0.0109 (3) | |
O3 | 0.0647 (3) | 0.8547 (2) | 0.8291 (2) | 0.0124 (3) | |
O4 | 0.0889 (3) | 0.6516 (2) | 0.96694 (19) | 0.0118 (3) | |
O5 | −0.4523 (3) | 0.6052 (2) | 1.05179 (19) | 0.0108 (3) | |
O6 | −0.4807 (4) | 0.7948 (2) | 0.8968 (2) | 0.0144 (3) | |
O1W | 0.7492 (3) | 0.5203 (2) | 0.80455 (19) | 0.0106 (3) | |
H11 | 0.8260 | 0.5623 | 0.7698 | 0.016* | |
H12 | 0.8112 | 0.4646 | 0.8692 | 0.016* | |
O2W | 0.4192 (3) | 0.7800 (2) | 0.63939 (19) | 0.0116 (3) | |
H21 | 0.5129 | 0.8193 | 0.6383 | 0.017* | |
H22 | 0.3842 | 0.7747 | 0.5651 | 0.017* | |
O3W | 0.7253 (4) | 0.9190 (2) | 0.6092 (2) | 0.0159 (4) | |
H31 | 0.6992 | 1.0149 | 0.6285 | 0.024* | |
H32 | 0.8479 | 0.8647 | 0.6664 | 0.024* | |
O4W | 0.3216 (4) | 0.7853 (2) | 0.3887 (2) | 0.0152 (4) | |
H42 | 0.3953 | 0.7000 | 0.3606 | 0.023* | |
H41 | 0.1889 | 0.8018 | 0.3712 | 0.023* | |
O5W | −0.1228 (4) | 0.8914 (2) | 0.3504 (2) | 0.0172 (4) | |
H51 | −0.1447 | 0.9706 | 0.3035 | 0.026* | |
H52 | −0.1657 | 0.9024 | 0.4175 | 0.026* | |
C1 | 0.2022 (4) | 0.5244 (3) | 0.6266 (2) | 0.0082 (4) | |
C2 | 0.1206 (4) | 0.4635 (3) | 0.5207 (3) | 0.0113 (4) | |
H2A | 0.1481 | 0.3568 | 0.5519 | 0.014* | |
H2B | 0.2076 | 0.4736 | 0.4429 | 0.014* | |
C3 | 0.0028 (4) | 0.7909 (3) | 0.9312 (2) | 0.0081 (3) | |
C4 | −0.1651 (4) | 0.8771 (3) | 1.0150 (3) | 0.0107 (4) | |
H4A | −0.2729 | 0.9615 | 0.9577 | 0.013* | |
H4B | −0.0907 | 0.9172 | 1.0748 | 0.013* | |
C5 | −0.2862 (4) | 0.7836 (3) | 1.0958 (2) | 0.0090 (4) | |
H5A | −0.1791 | 0.6998 | 1.1541 | 0.011* | |
H5B | −0.3886 | 0.8441 | 1.1515 | 0.011* | |
C6 | −0.4124 (4) | 0.7252 (3) | 1.0101 (2) | 0.0084 (4) | |
Yb1 | 0.374655 (14) | 0.625982 (10) | 0.822076 (9) | 0.00615 (4) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
O1 | 0.0074 (7) | 0.0148 (8) | 0.0115 (7) | −0.0025 (6) | −0.0004 (6) | −0.0065 (6) |
O2 | 0.0085 (7) | 0.0146 (8) | 0.0110 (7) | −0.0037 (6) | 0.0008 (6) | −0.0059 (6) |
O3 | 0.0159 (8) | 0.0096 (7) | 0.0131 (8) | −0.0062 (6) | 0.0049 (6) | −0.0020 (6) |
O4 | 0.0101 (7) | 0.0118 (8) | 0.0101 (7) | −0.0002 (6) | 0.0030 (6) | −0.0001 (6) |
O5 | 0.0123 (8) | 0.0100 (7) | 0.0123 (8) | −0.0061 (6) | 0.0031 (6) | −0.0031 (6) |
O6 | 0.0187 (9) | 0.0129 (8) | 0.0117 (8) | −0.0064 (7) | −0.0057 (7) | 0.0000 (6) |
O1W | 0.0078 (7) | 0.0134 (8) | 0.0091 (7) | −0.0032 (6) | 0.0001 (6) | 0.0010 (6) |
O2W | 0.0131 (8) | 0.0154 (8) | 0.0080 (7) | −0.0075 (7) | −0.0007 (6) | −0.0008 (6) |
O3W | 0.0146 (9) | 0.0149 (9) | 0.0172 (9) | −0.0062 (7) | −0.0039 (7) | 0.0027 (7) |
O4W | 0.0149 (9) | 0.0150 (9) | 0.0150 (8) | −0.0022 (7) | −0.0007 (7) | −0.0061 (7) |
O5W | 0.0189 (10) | 0.0128 (8) | 0.0189 (9) | −0.0037 (7) | 0.0024 (8) | −0.0028 (7) |
C1 | 0.0087 (9) | 0.0103 (9) | 0.0068 (8) | −0.0042 (7) | 0.0002 (7) | −0.0025 (7) |
C2 | 0.0104 (9) | 0.0141 (10) | 0.0113 (9) | −0.0042 (8) | −0.0015 (7) | −0.0064 (8) |
C3 | 0.0063 (8) | 0.0108 (9) | 0.0086 (8) | −0.0045 (7) | −0.0003 (7) | −0.0025 (7) |
C4 | 0.0111 (9) | 0.0112 (9) | 0.0125 (9) | −0.0059 (8) | 0.0047 (8) | −0.0050 (8) |
C5 | 0.0078 (9) | 0.0132 (10) | 0.0085 (8) | −0.0055 (7) | 0.0012 (7) | −0.0043 (7) |
C6 | 0.0059 (8) | 0.0085 (9) | 0.0120 (9) | −0.0026 (7) | 0.0003 (7) | −0.0047 (7) |
Yb1 | 0.00535 (5) | 0.00769 (6) | 0.00600 (5) | −0.00274 (3) | 0.00011 (3) | −0.00163 (3) |
Geometric parameters (Å, º) top
O1—C1 | 1.271 (3) | C1—C2 | 1.508 (4) |
O1—Yb1 | 2.375 (2) | C2—C2i | 1.518 (5) |
O2—C1 | 1.272 (3) | C2—H2A | 0.9900 |
O2—Yb1 | 2.435 (2) | C2—H2B | 0.9900 |
O3—C3 | 1.263 (3) | C3—C4 | 1.513 (4) |
O3—Yb1 | 2.479 (2) | C4—C5 | 1.525 (4) |
O4—C3 | 1.276 (3) | C4—H4A | 0.9900 |
O4—Yb1 | 2.350 (2) | C4—H4B | 0.9900 |
O1W—Yb1 | 2.322 (3) | C5—C6 | 1.505 (3) |
O1W—H11 | 0.7881 | C5—H5A | 0.9900 |
O1W—H12 | 0.8010 | C5—H5B | 0.9900 |
O2W—Yb1 | 2.283 (2) | C6—O6 | 1.255 (3) |
O2W—H21 | 0.8133 | C6—O5 | 1.279 (3) |
O2W—H22 | 0.8200 | Yb1—O5ii | 2.300 (2) |
O3W—H31 | 0.9516 | Yb1—O6iii | 2.372 (2) |
O3W—H32 | 0.9412 | Yb1—O5iii | 2.589 (2) |
O5W—H51 | 0.8072 | O4W—H42 | 0.9103 |
O5W—H52 | 0.7603 | O4W—H41 | 0.8344 |
| | | |
C1—O1—Yb1 | 95.08 (15) | O5ii—Yb1—O3 | 129.75 (7) |
C1—O2—Yb1 | 92.21 (15) | O1W—Yb1—O3 | 146.85 (7) |
C3—O3—Yb1 | 89.93 (16) | O4—Yb1—O3 | 53.90 (7) |
C3—O4—Yb1 | 95.57 (15) | O6iii—Yb1—O3 | 72.48 (9) |
H11—O1W—H12 | 110.1 | O1—Yb1—O3 | 123.98 (7) |
H21—O2W—H22 | 111.2 | O2—Yb1—O3 | 73.17 (8) |
H31—O3W—H32 | 100.4 | O2W—Yb1—O5iii | 123.98 (7) |
H51—O5W—H52 | 109.7 | O5ii—Yb1—O5iii | 66.97 (8) |
O1—C1—O2 | 118.6 (2) | O1W—Yb1—O5iii | 74.90 (7) |
O1—C1—C2 | 119.1 (2) | O4—Yb1—O5iii | 73.61 (8) |
O2—C1—C2 | 122.3 (2) | O6iii—Yb1—O5iii | 52.08 (7) |
O1—C1—Yb1 | 57.95 (13) | O1—Yb1—O5iii | 138.84 (7) |
O2—C1—Yb1 | 60.69 (13) | O2—Yb1—O5iii | 149.65 (6) |
C2—C1—Yb1 | 177.00 (18) | O3—Yb1—O5iii | 96.15 (7) |
C1—C2—C2i | 115.1 (3) | O2W—Yb1—C3 | 105.02 (8) |
O3—C3—O4 | 119.3 (2) | O5ii—Yb1—C3 | 102.88 (7) |
O3—C3—C4 | 121.4 (2) | O1W—Yb1—C3 | 154.83 (7) |
O4—C3—C4 | 119.3 (2) | O4—Yb1—C3 | 27.17 (7) |
O3—C3—Yb1 | 63.05 (14) | O6iii—Yb1—C3 | 81.08 (9) |
O4—C3—Yb1 | 57.26 (13) | O1—Yb1—C3 | 129.81 (7) |
C4—C3—Yb1 | 167.56 (17) | O2—Yb1—C3 | 76.31 (8) |
C3—C4—C5 | 112.8 (2) | O3—Yb1—C3 | 27.02 (7) |
C3—C4—H4A | 109.0 | O5iii—Yb1—C3 | 81.79 (8) |
C5—C4—H4A | 109.0 | O2W—Yb1—C1 | 78.95 (8) |
C3—C4—H4B | 109.0 | O5ii—Yb1—C1 | 88.08 (8) |
C5—C4—H4B | 109.0 | O1W—Yb1—C1 | 102.00 (8) |
H4A—C4—H4B | 107.8 | O4—Yb1—C1 | 99.46 (9) |
C6—C5—C4 | 111.7 (2) | O6iii—Yb1—C1 | 152.47 (7) |
C6—C5—H5A | 109.3 | O1—Yb1—C1 | 26.97 (7) |
C4—C5—H5A | 109.3 | O2—Yb1—C1 | 27.10 (7) |
C6—C5—H5B | 109.3 | O3—Yb1—C1 | 98.79 (8) |
C4—C5—H5B | 109.3 | O5iii—Yb1—C1 | 154.99 (7) |
H5A—C5—H5B | 107.9 | C3—Yb1—C1 | 103.14 (8) |
O6—C6—O5 | 119.3 (2) | O2W—Yb1—C6iii | 98.15 (8) |
O6—C6—C5 | 120.0 (2) | O5ii—Yb1—C6iii | 92.61 (8) |
O5—C6—C5 | 120.7 (2) | O1W—Yb1—C6iii | 73.16 (8) |
O6—C6—Yb1iv | 54.78 (13) | O4—Yb1—C6iii | 85.71 (9) |
O5—C6—Yb1iv | 64.73 (13) | O6iii—Yb1—C6iii | 25.61 (7) |
C5—C6—Yb1iv | 173.23 (17) | O1—Yb1—C6iii | 148.36 (7) |
O2W—Yb1—O5ii | 151.23 (7) | O2—Yb1—C6iii | 157.34 (7) |
O2W—Yb1—O1W | 80.97 (7) | O3—Yb1—C6iii | 84.74 (8) |
O5ii—Yb1—O1W | 76.75 (7) | O5iii—Yb1—C6iii | 26.53 (7) |
O2W—Yb1—O4 | 131.32 (7) | C3—Yb1—C6iii | 81.74 (8) |
O5ii—Yb1—O4 | 75.85 (7) | C1—Yb1—C6iii | 174.79 (7) |
O1W—Yb1—O4 | 144.33 (7) | O2W—Yb1—H12 | 95.9 |
O2W—Yb1—O6iii | 73.73 (8) | O5ii—Yb1—H12 | 64.0 |
O5ii—Yb1—O6iii | 117.86 (8) | O1W—Yb1—H12 | 15.5 |
O1W—Yb1—O6iii | 77.19 (8) | O4—Yb1—H12 | 129.0 |
O4—Yb1—O6iii | 96.04 (8) | O6iii—Yb1—H12 | 77.6 |
O2W—Yb1—O1 | 77.77 (8) | O1—Yb1—H12 | 82.2 |
O5ii—Yb1—O1 | 79.11 (8) | O2—Yb1—H12 | 135.7 |
O1W—Yb1—O1 | 75.21 (7) | O3—Yb1—H12 | 150.0 |
O4—Yb1—O1 | 120.79 (8) | O5iii—Yb1—H12 | 62.7 |
O6iii—Yb1—O1 | 142.85 (8) | C3—Yb1—H12 | 144.5 |
O2W—Yb1—O2 | 82.38 (8) | C1—Yb1—H12 | 108.9 |
O5ii—Yb1—O2 | 97.63 (7) | C6iii—Yb1—H12 | 66.9 |
O1W—Yb1—O2 | 128.86 (8) | H42—O4W—H41 | 106.4 |
O4—Yb1—O2 | 77.35 (9) | C6—O5—Yb1ii | 153.38 (17) |
O6iii—Yb1—O2 | 141.37 (7) | C6—O5—Yb1iv | 88.74 (15) |
O1—Yb1—O2 | 54.07 (7) | Yb1ii—O5—Yb1iv | 113.03 (8) |
O2W—Yb1—O3 | 78.02 (8) | C6—O6—Yb1iv | 99.62 (16) |
| | | |
Yb1—O1—C1—O2 | 0.4 (2) | O3—C3—Yb1—O2W | −1.66 (16) |
Yb1—O1—C1—C2 | −179.4 (2) | O4—C3—Yb1—O2W | 166.99 (15) |
Yb1—O2—C1—O1 | −0.4 (2) | C4—C3—Yb1—O2W | −115.5 (8) |
Yb1—O2—C1—C2 | 179.4 (2) | O3—C3—Yb1—O5ii | −174.58 (14) |
O1—C1—C2—C2i | −172.9 (3) | O4—C3—Yb1—O5ii | −5.93 (16) |
O2—C1—C2—C2i | 7.3 (4) | C4—C3—Yb1—O5ii | 71.5 (8) |
Yb1—O3—C3—O4 | −10.9 (2) | O3—C3—Yb1—O1W | 99.2 (2) |
Yb1—O3—C3—C4 | 166.7 (2) | O4—C3—Yb1—O1W | −92.1 (2) |
Yb1—O4—C3—O3 | 11.6 (2) | C4—C3—Yb1—O1W | −14.7 (9) |
Yb1—O4—C3—C4 | −166.05 (18) | O3—C3—Yb1—O4 | −168.7 (2) |
O3—C3—C4—C5 | 156.0 (2) | C4—C3—Yb1—O4 | 77.5 (8) |
O4—C3—C4—C5 | −26.3 (3) | O3—C3—Yb1—O6iii | 68.72 (15) |
Yb1—C3—C4—C5 | −96.6 (8) | O4—C3—Yb1—O6iii | −122.63 (16) |
C3—C4—C5—C6 | −61.5 (3) | C4—C3—Yb1—O6iii | −45.2 (8) |
C4—C5—C6—O6 | −27.5 (3) | O3—C3—Yb1—O1 | −88.11 (17) |
C4—C5—C6—O5 | 152.8 (2) | O4—C3—Yb1—O1 | 80.54 (17) |
C3—O4—Yb1—O2W | −16.83 (19) | C4—C3—Yb1—O1 | 158.0 (8) |
C3—O4—Yb1—O5ii | 174.04 (16) | O3—C3—Yb1—O2 | −79.73 (15) |
C3—O4—Yb1—O1W | 133.21 (15) | O4—C3—Yb1—O2 | 88.92 (16) |
C3—O4—Yb1—O6iii | 56.79 (16) | C4—C3—Yb1—O2 | 166.4 (8) |
C3—O4—Yb1—O1 | −118.11 (15) | O4—C3—Yb1—O3 | 168.7 (2) |
C3—O4—Yb1—O2 | −84.60 (15) | C4—C3—Yb1—O3 | −113.9 (8) |
C3—O4—Yb1—O3 | −6.35 (14) | O3—C3—Yb1—O5iii | 121.43 (15) |
C3—O4—Yb1—O5iii | 104.31 (15) | O4—C3—Yb1—O5iii | −69.92 (15) |
C3—O4—Yb1—C1 | −100.38 (15) | C4—C3—Yb1—O5iii | 7.5 (8) |
C3—O4—Yb1—C6iii | 80.25 (15) | O3—C3—Yb1—C1 | −83.54 (15) |
C1—O1—Yb1—O2W | −89.62 (16) | O4—C3—Yb1—C1 | 85.11 (16) |
C1—O1—Yb1—O5ii | 107.63 (16) | C4—C3—Yb1—C1 | 162.6 (8) |
C1—O1—Yb1—O1W | −173.37 (17) | O3—C3—Yb1—C6iii | 94.62 (15) |
C1—O1—Yb1—O4 | 41.48 (18) | O4—C3—Yb1—C6iii | −96.73 (16) |
C1—O1—Yb1—O6iii | −130.09 (16) | C4—C3—Yb1—C6iii | −19.3 (8) |
C1—O1—Yb1—O2 | −0.22 (14) | O1—C1—Yb1—O2W | 84.72 (16) |
C1—O1—Yb1—O3 | −23.34 (18) | O2—C1—Yb1—O2W | −94.88 (16) |
C1—O1—Yb1—O5iii | 141.99 (14) | O1—C1—Yb1—O5ii | −69.46 (16) |
C1—O1—Yb1—C3 | 9.86 (19) | O2—C1—Yb1—O5ii | 110.93 (16) |
C1—O1—Yb1—C6iii | −175.30 (14) | O1—C1—Yb1—O1W | 6.56 (16) |
C1—O2—Yb1—O2W | 80.61 (16) | O2—C1—Yb1—O1W | −173.05 (15) |
C1—O2—Yb1—O5ii | −70.36 (16) | O1—C1—Yb1—O4 | −144.77 (16) |
C1—O2—Yb1—O1W | 8.74 (18) | O2—C1—Yb1—O4 | 35.62 (16) |
C1—O2—Yb1—O4 | −143.93 (16) | O1—C1—Yb1—O6iii | 91.8 (2) |
C1—O2—Yb1—O6iii | 132.28 (16) | O2—C1—Yb1—O6iii | −87.8 (2) |
C1—O2—Yb1—O1 | 0.22 (14) | O2—C1—Yb1—O1 | −179.6 (3) |
C1—O2—Yb1—O3 | 160.33 (16) | O1—C1—Yb1—O2 | 179.6 (3) |
C1—O2—Yb1—O5iii | −126.83 (16) | O1—C1—Yb1—O3 | 160.58 (15) |
C1—O2—Yb1—C3 | −171.83 (16) | O2—C1—Yb1—O3 | −19.02 (16) |
C1—O2—Yb1—C6iii | 173.51 (16) | O1—C1—Yb1—O5iii | −73.4 (2) |
C3—O3—Yb1—O2W | 178.36 (16) | O2—C1—Yb1—O5iii | 107.0 (2) |
C3—O3—Yb1—O5ii | 6.88 (18) | O1—C1—Yb1—C3 | −172.24 (15) |
C3—O3—Yb1—O1W | −129.84 (15) | O2—C1—Yb1—C3 | 8.15 (16) |
C3—O3—Yb1—O4 | 6.39 (14) | O6—C6—O5—Yb1ii | 151.0 (3) |
C3—O3—Yb1—O6iii | −105.13 (16) | C5—C6—O5—Yb1ii | −29.4 (5) |
C3—O3—Yb1—O1 | 112.20 (15) | Yb1iv—C6—O5—Yb1ii | 146.1 (4) |
C3—O3—Yb1—O2 | 92.80 (15) | O6—C6—O5—Yb1iv | 5.0 (2) |
C3—O3—Yb1—O5iii | −58.15 (15) | C5—C6—O5—Yb1iv | −175.4 (2) |
C3—O3—Yb1—C1 | 101.73 (15) | O5—C6—O6—Yb1iv | −5.5 (3) |
C3—O3—Yb1—C6iii | −82.14 (15) | C5—C6—O6—Yb1iv | 174.87 (18) |
Symmetry codes: (i) −x, −y+1, −z+1; (ii) −x, −y+1, −z+2; (iii) x+1, y, z; (iv) x−1, y, z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H11···O2iii | 0.79 | 1.997 | 2.768 (4) | 165 |
O1W—H12···O4v | 0.80 | 1.861 | 2.654 (3) | 170 |
O2W—H21···O3W | 0.81 | 1.915 | 2.722 (4) | 172 |
O2W—H22···O4W | 0.82 | 1.857 | 2.671 (4) | 171 |
O3W—H31···O4Wvi | 0.95 | 1.883 | 2.801 (3) | 161 |
O3W—H32···O3iii | 0.94 | 2.171 | 3.017 (4) | 149 |
O3W—H32···O2iii | 0.94 | 2.341 | 3.035 (4) | 130 |
O4W—H42···O1vii | 0.91 | 1.846 | 2.735 (3) | 164 |
O4W—H41···O5W | 0.83 | 1.914 | 2.723 (4) | 163 |
O5W—H51···O3viii | 0.80 | 2.191 | 2.952 (4) | 157 |
O5W—H52···O3Wiv | 0.76 | 2.121 | 2.880 (4) | 176 |
Symmetry codes: (iii) x+1, y, z; (iv) x−1, y, z; (v) −x+1, −y+1, −z+2; (vi) −x+1, −y+2, −z+1; (vii) −x+1, −y+1, −z+1; (viii) −x, −y+2, −z+1. |