The title compound, [Co(H2O)6][Co(C7H3NO4)2]·2H2O, was obtained by a hydrothermal reaction of cobalt chloride hexahydrate, 2,6-pyridinedicarboxylic acid, and Et3N (molar ratio 1:1:7). The compound contains six-coordinated CoII ions, with six O atoms of water molecules attached to the Co atoms in the two independent centrosymmetric cations and four O and two N atoms of two trans 2,6-pyridinedicarboxylate groups bonded to the Co atom in the anion. Intermolecular hydrogen-bonding interactions are present, linking the cobalt complex cations, anions and uncoordinated water molecules in the crystal structure.
Supporting information
CCDC reference: 231810
Key indicators
- Single-crystal X-ray study
- T = 295 K
- Mean (C-C) = 0.012 Å
- R factor = 0.094
- wR factor = 0.228
- Data-to-parameter ratio = 17.1
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor O11 - H11A ... ?
PLAT420_ALERT_2_B D-H Without Acceptor O12 - H12A ... ?
PLAT420_ALERT_2_B D-H Without Acceptor O12 - H12B ... ?
PLAT420_ALERT_2_B D-H Without Acceptor O15 - H15A ... ?
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... Co2
PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... Co3
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12
PLAT355_ALERT_3_C Long O-H Bond (0.82A) O10 - H10B = 1.01 Ang.
PLAT355_ALERT_3_C Long O-H Bond (0.82A) O13 - H13A = 1.05 Ang.
PLAT355_ALERT_3_C Long O-H Bond (0.82A) O14 - H14A = 1.01 Ang.
PLAT355_ALERT_3_C Long O-H Bond (0.82A) O15 - H15A = 1.03 Ang.
PLAT355_ALERT_3_C Long O-H Bond (0.82A) O15 - H15B = 1.04 Ang.
PLAT737_ALERT_1_C D...A Calc 2.849(9), Rep 2.85(2) ...... 2.22 su-Rat
O13 -O2 1.555 2.675
PLAT737_ALERT_1_C D...A Calc 2.790(8), Rep 2.79(3) ...... 3.75 su-Rat
O9 -O2 1.555 2.576
PLAT737_ALERT_1_C D...A Calc 2.690(9), Rep 2.69(3) ...... 3.33 su-Rat
O10 -O4 1.555 2.466
PLAT737_ALERT_1_C D...A Calc 2.759(8), Rep 2.76(2) ...... 2.50 su-Rat
O10 -O6 1.555 2.566
PLAT737_ALERT_1_C D...A Calc 3.157(14), Rep 3.16(4) ...... 2.86 su-Rat
O13 -O15 1.555 1.554
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
Co H12 O6
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 5
H2 O
0 ALERT level A = In general: serious problem
4 ALERT level B = Potentially serious problem
16 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
4 ALERT type 2 Indicator that the structure model may be wrong or deficient
6 ALERT type 3 Indicator that the structure quality may be low
4 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.
Hexaaquacobalt(II)
trans-bis(
η3-pyridine-2,6-
dicarboxylato-
κ3O,
N,
O')cobaltate(II) dihydrate
top
Crystal data top
[Co(H2O)6][Co(C7H3NO4)2]·2H2O | Z = 2 |
Mr = 592.20 | F(000) = 604 |
Triclinic, P1 | Dx = 1.746 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 8.258 (6) Å | Cell parameters from 2061 reflections |
b = 11.615 (8) Å | θ = 2.5–25° |
c = 12.873 (9) Å | µ = 1.55 mm−1 |
α = 108.694 (11)° | T = 295 K |
β = 99.900 (12)° | Columnar, red |
γ = 98.089 (13)° | 0.30 × 0.10 × 0.10 mm |
V = 1126.6 (13) Å3 | |
Data collection top
Bruker SMART CCD area-detector diffractometer | 5293 independent reflections |
Radiation source: fine-focus sealed tube | 2686 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.083 |
φ and ω scans | θmax = 28.4°, θmin = 1.7° |
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1995) | h = −11→10 |
Tmin = 0.678, Tmax = 0.856 | k = −14→15 |
11729 measured reflections | l = −17→17 |
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)] = 0.094 | Hydrogen site location: difference Fourier map |
wR(F2) = 0.228 | H-atom parameters not refined |
S = 1.06 | w = 1/[σ2(Fo2) + (0.1003P)2] where P = (Fo2 + 2Fc2)/3 |
5293 reflections | (Δ/σ)max = 0.001 |
310 parameters | Δρmax = 1.02 e Å−3 |
0 restraints | Δρmin = −0.84 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 | |
Co1 | 0.13678 (14) | 0.78395 (10) | 0.24512 (8) | 0.0333 (3) | |
Co2 | −0.5000 | 0.5000 | 0.5000 | 0.0289 (4) | |
Co3 | 0.5000 | 1.0000 | 0.0000 | 0.0474 (5) | |
O1 | 0.3179 (7) | 0.9405 (5) | 0.2462 (4) | 0.0358 (13) | |
O2 | 0.4653 (7) | 1.1293 (5) | 0.3514 (4) | 0.0440 (15) | |
O3 | −0.0326 (7) | 0.7051 (5) | 0.3210 (5) | 0.0462 (15) | |
O4 | −0.0792 (7) | 0.7114 (6) | 0.4888 (5) | 0.0510 (16) | |
O5 | 0.3134 (7) | 0.6686 (5) | 0.2785 (4) | 0.0427 (14) | |
O6 | 0.4431 (8) | 0.5230 (6) | 0.1907 (5) | 0.0534 (17) | |
O7 | −0.0548 (7) | 0.8293 (5) | 0.1319 (5) | 0.0448 (15) | |
O8 | −0.1324 (8) | 0.8077 (6) | −0.0488 (5) | 0.0580 (18) | |
O9 | −0.6308 (8) | 0.6407 (5) | 0.4862 (4) | 0.0477 (16) | |
O10 | −0.6450 (7) | 0.4713 (5) | 0.6125 (4) | 0.0457 (15) | |
O11 | −0.6881 (9) | 0.3723 (6) | 0.3572 (6) | 0.066 (2) | |
O12 | 0.5336 (10) | 0.8420 (8) | 0.0474 (7) | 0.096 (3) | |
O13 | 0.3786 (9) | 0.8811 (7) | −0.1686 (5) | 0.070 (2) | |
O14 | 0.2697 (7) | 0.9892 (5) | 0.0470 (5) | 0.0486 (15) | |
O15 | 0.1131 (16) | 0.6459 (10) | 0.6583 (9) | 0.142 (4) | |
O16 | −0.0081 (13) | 1.0959 (7) | 0.2047 (6) | 0.102 (3) | |
N1 | 0.1909 (7) | 0.9068 (5) | 0.4044 (5) | 0.0247 (13) | |
N2 | 0.1499 (8) | 0.6746 (5) | 0.0913 (5) | 0.0288 (14) | |
C1 | 0.3685 (10) | 1.0317 (7) | 0.3363 (7) | 0.0342 (19) | |
C2 | 0.2998 (9) | 1.0161 (7) | 0.4345 (6) | 0.0287 (17) | |
C3 | 0.3378 (10) | 1.0988 (7) | 0.5433 (7) | 0.0361 (19) | |
C4 | 0.2610 (11) | 1.0641 (8) | 0.6218 (6) | 0.041 (2) | |
C5 | 0.1517 (10) | 0.9538 (8) | 0.5901 (6) | 0.0350 (19) | |
C6 | 0.1185 (9) | 0.8751 (7) | 0.4794 (6) | 0.0270 (17) | |
C7 | −0.0064 (11) | 0.7537 (8) | 0.4284 (7) | 0.040 (2) | |
C8 | 0.3454 (11) | 0.5938 (8) | 0.1906 (7) | 0.037 (2) | |
C9 | 0.2511 (9) | 0.5965 (7) | 0.0796 (6) | 0.0276 (17) | |
C10 | 0.2711 (10) | 0.5271 (7) | −0.0244 (7) | 0.038 (2) | |
C11 | 0.1815 (11) | 0.5448 (9) | −0.1172 (7) | 0.049 (2) | |
C12 | 0.0745 (12) | 0.6266 (9) | −0.1059 (7) | 0.049 (2) | |
C13 | 0.0598 (9) | 0.6908 (7) | 0.0014 (6) | 0.0306 (18) | |
C14 | −0.0519 (10) | 0.7832 (8) | 0.0277 (7) | 0.039 (2) | |
H3A | 0.4197 | 1.1849 | 0.5703 | 0.050* | |
H4A | 0.2363 | 1.1181 | 0.6940 | 0.050* | |
H5A | 0.0984 | 0.9276 | 0.6389 | 0.050* | |
H9A | −0.6531 | 0.6461 | 0.4159 | 0.050* | |
H9B | −0.5781 | 0.7214 | 0.5356 | 0.050* | |
H10A | −0.5774 | 0.4616 | 0.6746 | 0.050* | |
H10B | −0.7338 | 0.3921 | 0.5771 | 0.050* | |
H10C | 0.3524 | 0.4624 | −0.0211 | 0.050* | |
H11A | −0.7566 | 0.2895 | 0.3378 | 0.050* | |
H11B | −0.6911 | 0.4070 | 0.2966 | 0.050* | |
H11C | 0.1906 | 0.5092 | −0.1992 | 0.050* | |
H12A | 0.4982 | 0.7665 | −0.0012 | 0.050* | |
H12B | 0.5812 | 0.8497 | 0.1147 | 0.050* | |
H12C | −0.0019 | 0.6351 | −0.1593 | 0.050* | |
H13A | 0.4218 | 0.8751 | −0.2416 | 0.050* | |
H13B | 0.3223 | 0.8139 | −0.2068 | 0.050* | |
H14A | 0.2578 | 1.0774 | 0.0597 | 0.050* | |
H14B | 0.2700 | 1.0011 | 0.1255 | 0.050* | |
H15A | 0.0458 | 0.5553 | 0.6195 | 0.050* | |
H15B | 0.0759 | 0.6877 | 0.5999 | 0.050* | |
H16A | 0.0216 | 1.1063 | 0.1363 | 0.050* | |
H16B | −0.0204 | 1.1803 | 0.2451 | 0.050* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Co1 | 0.0432 (7) | 0.0326 (6) | 0.0244 (6) | 0.0088 (5) | 0.0099 (5) | 0.0089 (5) |
Co2 | 0.0288 (9) | 0.0294 (8) | 0.0302 (8) | 0.0040 (7) | 0.0049 (7) | 0.0148 (7) |
Co3 | 0.0370 (11) | 0.0668 (12) | 0.0514 (11) | 0.0111 (9) | 0.0159 (8) | 0.0351 (10) |
O1 | 0.047 (4) | 0.034 (3) | 0.026 (3) | 0.006 (3) | 0.012 (3) | 0.008 (2) |
O2 | 0.056 (4) | 0.032 (3) | 0.044 (3) | −0.001 (3) | 0.017 (3) | 0.016 (3) |
O3 | 0.047 (4) | 0.038 (3) | 0.042 (3) | −0.012 (3) | 0.012 (3) | 0.006 (3) |
O4 | 0.043 (4) | 0.062 (4) | 0.051 (4) | −0.007 (3) | 0.016 (3) | 0.028 (3) |
O5 | 0.053 (4) | 0.054 (4) | 0.026 (3) | 0.023 (3) | 0.002 (3) | 0.019 (3) |
O6 | 0.063 (4) | 0.073 (4) | 0.041 (4) | 0.047 (4) | 0.017 (3) | 0.026 (3) |
O7 | 0.040 (4) | 0.055 (4) | 0.042 (3) | 0.019 (3) | 0.014 (3) | 0.015 (3) |
O8 | 0.049 (4) | 0.086 (5) | 0.056 (4) | 0.033 (4) | 0.011 (3) | 0.041 (4) |
O9 | 0.062 (4) | 0.046 (3) | 0.032 (3) | 0.015 (3) | −0.004 (3) | 0.016 (3) |
O10 | 0.040 (4) | 0.057 (4) | 0.043 (3) | 0.002 (3) | 0.004 (3) | 0.028 (3) |
O11 | 0.066 (5) | 0.057 (4) | 0.062 (4) | −0.009 (4) | −0.005 (4) | 0.021 (4) |
O12 | 0.082 (6) | 0.106 (6) | 0.116 (7) | 0.009 (5) | 0.014 (5) | 0.069 (6) |
O13 | 0.061 (5) | 0.093 (5) | 0.045 (4) | −0.005 (4) | 0.006 (3) | 0.020 (4) |
O14 | 0.045 (4) | 0.062 (4) | 0.044 (3) | 0.009 (3) | 0.018 (3) | 0.024 (3) |
O15 | 0.218 (12) | 0.179 (10) | 0.132 (8) | 0.133 (9) | 0.108 (9) | 0.118 (8) |
O16 | 0.163 (9) | 0.096 (6) | 0.066 (5) | 0.032 (6) | 0.059 (6) | 0.035 (5) |
N1 | 0.015 (3) | 0.034 (3) | 0.030 (3) | 0.006 (3) | 0.008 (3) | 0.015 (3) |
N2 | 0.035 (4) | 0.030 (3) | 0.023 (3) | 0.007 (3) | 0.009 (3) | 0.009 (3) |
C1 | 0.031 (5) | 0.032 (5) | 0.046 (5) | 0.009 (4) | 0.010 (4) | 0.020 (4) |
C2 | 0.029 (4) | 0.039 (5) | 0.026 (4) | 0.022 (4) | 0.008 (3) | 0.014 (4) |
C3 | 0.032 (5) | 0.035 (5) | 0.037 (5) | 0.009 (4) | 0.008 (4) | 0.006 (4) |
C4 | 0.042 (5) | 0.049 (5) | 0.029 (4) | 0.016 (4) | 0.005 (4) | 0.007 (4) |
C5 | 0.031 (5) | 0.052 (5) | 0.028 (4) | 0.013 (4) | 0.012 (4) | 0.018 (4) |
C6 | 0.022 (4) | 0.036 (4) | 0.026 (4) | 0.011 (3) | 0.007 (3) | 0.011 (3) |
C7 | 0.035 (5) | 0.054 (5) | 0.041 (5) | 0.013 (4) | 0.009 (4) | 0.027 (4) |
C8 | 0.040 (5) | 0.038 (5) | 0.034 (5) | −0.002 (4) | 0.010 (4) | 0.016 (4) |
C9 | 0.027 (4) | 0.029 (4) | 0.027 (4) | 0.008 (3) | 0.006 (3) | 0.009 (3) |
C10 | 0.039 (5) | 0.044 (5) | 0.032 (4) | 0.009 (4) | 0.011 (4) | 0.012 (4) |
C11 | 0.042 (6) | 0.064 (6) | 0.029 (5) | −0.003 (5) | 0.008 (4) | 0.007 (4) |
C12 | 0.044 (6) | 0.067 (6) | 0.032 (5) | 0.014 (5) | −0.004 (4) | 0.017 (5) |
C13 | 0.027 (4) | 0.037 (5) | 0.027 (4) | 0.009 (4) | 0.008 (3) | 0.009 (3) |
C14 | 0.029 (5) | 0.044 (5) | 0.043 (5) | 0.001 (4) | 0.009 (4) | 0.018 (4) |
Geometric parameters (Å, º) top
Co1—N2 | 2.012 (6) | O12—H12A | 0.8709 |
Co1—N1 | 2.017 (6) | O12—H12B | 0.8588 |
Co1—O3 | 2.106 (5) | O13—H13A | 1.0465 |
Co1—O1 | 2.181 (5) | O13—H13B | 0.7999 |
Co1—O5 | 2.193 (5) | O14—H14A | 1.0063 |
Co1—O7 | 2.200 (6) | O14—H14B | 0.9744 |
Co2—O10 | 2.107 (5) | O15—H15A | 1.0336 |
Co2—O10i | 2.107 (5) | O15—H15B | 1.0456 |
Co2—O9 | 2.118 (6) | O16—H16A | 0.9919 |
Co2—O9i | 2.118 (6) | O16—H16B | 0.9807 |
Co2—O11 | 2.148 (6) | N1—C6 | 1.339 (8) |
Co2—O11i | 2.148 (6) | N1—C2 | 1.347 (9) |
Co3—O14 | 2.092 (6) | N2—C9 | 1.309 (9) |
Co3—O14ii | 2.092 (6) | N2—C13 | 1.346 (9) |
Co3—O13 | 2.136 (6) | C1—C2 | 1.523 (10) |
Co3—O13ii | 2.136 (6) | C2—C3 | 1.373 (10) |
Co3—O12ii | 2.150 (8) | C3—C4 | 1.412 (11) |
Co3—O12 | 2.150 (8) | C3—H3A | 1.0417 |
O1—C1 | 1.251 (9) | C4—C5 | 1.355 (11) |
O2—C1 | 1.230 (9) | C4—H4A | 1.0135 |
O3—C7 | 1.280 (10) | C5—C6 | 1.379 (10) |
O4—C7 | 1.236 (9) | C5—H5A | 0.9274 |
O5—C8 | 1.282 (9) | C6—C7 | 1.500 (11) |
O6—C8 | 1.230 (10) | C8—C9 | 1.517 (10) |
O7—C14 | 1.281 (9) | C9—C10 | 1.375 (10) |
O8—C14 | 1.225 (9) | C10—C11 | 1.384 (12) |
O9—H9A | 0.9161 | C10—H10C | 1.0811 |
O9—H9B | 0.9384 | C11—C12 | 1.378 (13) |
O10—H10A | 0.9407 | C11—H11C | 1.0228 |
O10—H10B | 1.0090 | C12—C13 | 1.379 (11) |
O11—H11A | 0.9756 | C12—H12C | 0.8897 |
O11—H11B | 0.9846 | C13—C14 | 1.507 (11) |
| | | |
N2—Co1—N1 | 164.6 (2) | Co3—O12—H12B | 122.1 |
N2—Co1—O3 | 115.7 (2) | H12A—O12—H12B | 116.7 |
N1—Co1—O3 | 76.6 (2) | Co3—O13—H13A | 127.0 |
N2—Co1—O1 | 93.5 (2) | Co3—O13—H13B | 144.5 |
N1—Co1—O1 | 74.9 (2) | H13A—O13—H13B | 83.6 |
O3—Co1—O1 | 150.8 (2) | Co3—O14—H14A | 98.2 |
N2—Co1—O5 | 75.5 (2) | Co3—O14—H14B | 118.4 |
N1—Co1—O5 | 95.9 (2) | H14A—O14—H14B | 90.8 |
O3—Co1—O5 | 90.8 (2) | H15A—O15—H15B | 103.1 |
O1—Co1—O5 | 98.4 (2) | H16A—O16—H16B | 100.5 |
N2—Co1—O7 | 77.1 (2) | C6—N1—C2 | 121.2 (6) |
N1—Co1—O7 | 112.1 (2) | C6—N1—Co1 | 118.0 (5) |
O3—Co1—O7 | 95.9 (2) | C2—N1—Co1 | 120.8 (5) |
O1—Co1—O7 | 88.9 (2) | C9—N2—C13 | 121.3 (6) |
O5—Co1—O7 | 152.0 (2) | C9—N2—Co1 | 121.0 (5) |
O10—Co2—O10i | 180.000 (1) | C13—N2—Co1 | 117.6 (5) |
O10—Co2—O9 | 87.8 (2) | O2—C1—O1 | 126.5 (7) |
O10i—Co2—O9 | 92.2 (2) | O2—C1—C2 | 118.9 (7) |
O10—Co2—O9i | 92.2 (2) | O1—C1—C2 | 114.7 (7) |
O10i—Co2—O9i | 87.8 (2) | N1—C2—C3 | 120.6 (7) |
O9—Co2—O9i | 180.000 (1) | N1—C2—C1 | 112.2 (6) |
O10—Co2—O11 | 91.7 (3) | C3—C2—C1 | 127.2 (7) |
O10i—Co2—O11 | 88.3 (2) | C2—C3—C4 | 117.7 (7) |
O9—Co2—O11 | 87.5 (2) | C2—C3—H3A | 123.4 |
O9i—Co2—O11 | 92.5 (2) | C4—C3—H3A | 119.0 |
O10—Co2—O11i | 88.3 (2) | C5—C4—C3 | 121.0 (7) |
O10i—Co2—O11i | 91.7 (3) | C5—C4—H4A | 105.3 |
O9—Co2—O11i | 92.5 (2) | C3—C4—H4A | 129.7 |
O9i—Co2—O11i | 87.5 (2) | C4—C5—C6 | 118.4 (7) |
O11—Co2—O11i | 180.000 (1) | C4—C5—H5A | 123.7 |
O14—Co3—O14ii | 180.0 | C6—C5—H5A | 117.9 |
O14—Co3—O13 | 90.6 (2) | N1—C6—C5 | 121.1 (7) |
O14ii—Co3—O13 | 89.4 (2) | N1—C6—C7 | 113.3 (6) |
O14—Co3—O13ii | 89.4 (2) | C5—C6—C7 | 125.5 (7) |
O14ii—Co3—O13ii | 90.6 (2) | O4—C7—O3 | 125.6 (8) |
O13—Co3—O13ii | 180.0 (2) | O4—C7—C6 | 120.1 (8) |
O14—Co3—O12ii | 91.7 (3) | O3—C7—C6 | 114.3 (7) |
O14ii—Co3—O12ii | 88.3 (3) | O6—C8—O5 | 125.4 (8) |
O13—Co3—O12ii | 89.1 (3) | O6—C8—C9 | 119.8 (7) |
O13ii—Co3—O12ii | 90.9 (3) | O5—C8—C9 | 114.7 (7) |
O14—Co3—O12 | 88.3 (3) | N2—C9—C10 | 122.1 (7) |
O14ii—Co3—O12 | 91.7 (3) | N2—C9—C8 | 113.6 (7) |
O13—Co3—O12 | 90.9 (3) | C10—C9—C8 | 124.3 (7) |
O13ii—Co3—O12 | 89.1 (3) | C9—C10—C11 | 117.1 (8) |
O12ii—Co3—O12 | 180.000 (1) | C9—C10—H10C | 113.7 |
C1—O1—Co1 | 117.4 (5) | C11—C10—H10C | 129.2 |
C7—O3—Co1 | 116.3 (5) | C12—C11—C10 | 121.3 (8) |
C8—O5—Co1 | 115.0 (5) | C12—C11—H11C | 110.6 |
C14—O7—Co1 | 113.7 (5) | C10—C11—H11C | 127.8 |
Co2—O9—H9A | 114.9 | C11—C12—C13 | 117.7 (7) |
Co2—O9—H9B | 115.1 | C11—C12—H12C | 128.5 |
H9A—O9—H9B | 105.5 | C13—C12—H12C | 112.8 |
Co2—O10—H10A | 110.6 | N2—C13—C12 | 120.5 (7) |
Co2—O10—H10B | 112.2 | N2—C13—C14 | 115.5 (6) |
H10A—O10—H10B | 105.0 | C12—C13—C14 | 124.1 (7) |
Co2—O11—H11A | 135.9 | O8—C14—O7 | 125.2 (8) |
Co2—O11—H11B | 106.7 | O8—C14—C13 | 119.7 (7) |
H11A—O11—H11B | 116.9 | O7—C14—C13 | 115.1 (7) |
Co3—O12—H12A | 121.2 | | |
Symmetry codes: (i) −x−1, −y+1, −z+1; (ii) −x+1, −y+2, −z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O14—H14B···O1 | 0.98 | 1.91 | 2.77 (1) | 147 |
O13—H13A···O2ii | 1.05 | 1.81 | 2.85 (2) | 169 |
O9—H9B···O2iii | 0.94 | 1.86 | 2.79 (3) | 172 |
O10—H10B···O4i | 1.01 | 1.71 | 2.69 (3) | 163 |
O15—H15B···O4 | 1.05 | 1.87 | 2.84 (2) | 154 |
O9—H9A···O5iv | 0.92 | 1.85 | 2.76 (1) | 176 |
O10—H10A···O6v | 0.94 | 1.83 | 2.76 (2) | 168 |
O11—H11B···O6iv | 0.99 | 2.49 | 3.39 (2) | 153 |
O14—H14A···O8vi | 1.01 | 1.83 | 2.75 (2) | 152 |
O16—H16A···O8vi | 0.99 | 1.98 | 2.92 (2) | 156 |
O13—H13B···O15vii | 0.80 | 2.38 | 3.16 (4) | 165 |
O16—H16B···O15iii | 0.98 | 2.32 | 3.28 (3) | 166 |
C5—H5A···O16iii | 0.93 | 2.34 | 3.25 (2) | 166 |
Symmetry codes: (i) −x−1, −y+1, −z+1; (ii) −x+1, −y+2, −z; (iii) −x, −y+2, −z+1; (iv) x−1, y, z; (v) −x, −y+1, −z+1; (vi) −x, −y+2, −z; (vii) x, y, z−1. |