Information card for entry 7203283

Structure parameters

• Formula: C66 H42 Co2 N16 O8
• Calculated formula: C66 H42 Co2 N16 O8
• SMILES: c12ccccc1[nH]c1[n]2[Co]23([n]4c5ccccc5[nH]c14)([n]1c4ccccc4[nH]c1c1[n]2c2ccccc2[nH]1)OC(=O)c1c(C(=O)O3)cc2C(=O)O[Co]34([n]5c6ccccc6[nH]c5c5[n]3c3ccccc3[nH]5)([n]3c5ccccc5[nH]c3c3[n]4c4ccccc4[nH]3)OC(=O)c2c1
• Title of publication: Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole
• Authors of publication: Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 281
• a: 11.3758 ± 0.0018 Å
• b: 11.982 ± 0.002 Å
• c: 12.6203 ± 0.0019 Å
• α: 104.568 ± 0.006°
• β: 97.853 ± 0.002°
• γ: 108.063 ± 0.006°
• Cell volume: 1539.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No