Information card for entry 2236593

Structure parameters

• Chemical name: Bis(μ-4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato- κ^2^<i>O</i>:<i>O</i>')bis[aqua(4,4''-difluoro-1,1':3',1''-terphenyl- 2'-carboxylato-κ<i>O</i>)(pyridine-κ<i>N</i>)cobalt(II)] diethyl ether disolvate
• Formula: C94 H78 Co2 F8 N2 O12
• Calculated formula: C94 H78 Co2 F8 N2 O12
• SMILES: C1(=[O][Co]([n]2ccccc2)(OC(=O)c2c(c3ccc(F)cc3)cccc2c2ccc(F)cc2)(OC(=[O][Co]([n]2ccccc2)(OC(=O)c2c(cccc2c2ccc(F)cc2)c2ccc(F)cc2)(O1)[OH2])c1c(cccc1c1ccc(F)cc1)c1ccc(F)cc1)[OH2])c1c(cccc1c1ccc(F)cc1)c1ccc(F)cc1.O(CC)CC.O(CC)CC
• Title of publication: Bis(μ-4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis[aqua(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κ<i>O</i>)(pyridine-κ<i>N</i>)cobalt(II)] diethyl ether disolvate
• Authors of publication: Kim, Namseok; Yoon, Yeahsel; Lee, Ha-Jin; Yoon, Sungho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1264 - m1265
• a: 12.0347 ± 0.0016 Å
• b: 14.0597 ± 0.0018 Å
• c: 14.3547 ± 0.0018 Å
• α: 113.199 ± 0.003°
• β: 91.182 ± 0.003°
• γ: 113.336 ± 0.003°
• Cell volume: 2004.4 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1592
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.2387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes