Information card for entry 2233460

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquadiformatocobalt(II)]-μ-1,4- bis(1<i>H</i>-benzimidazol-1-yl)benzene] dihydrate]
• Formula: C22 H24 Co N4 O8
• Calculated formula: C22 H24 Co N4 O8
• SMILES: [Co]([OH2])(OC=O)(OC=O)([OH2])([n]1cn(c2c1cccc2)c1ccc(cc1)n2cnc3c2cccc3)[n]1cn(c2c1cccc2)c1ccc(cc1)n2c[n](c3c2cccc3)[Co](OC=O)(OC=O)([OH2])[OH2].O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquadiformatocobalt(II)]-μ-1,4-bis(1<i>H</i>-benzimidazol-1-yl)benzene] dihydrate]
• Authors of publication: Huang, Ping-Yun; Wang, Jin-Guo; Guo, Sheng-Wu; Shi, Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m94
• a: 7.497 ± 0.004 Å
• b: 9.136 ± 0.005 Å
• c: 9.443 ± 0.007 Å
• α: 78.289 ± 0.019°
• β: 77.858 ± 0.019°
• γ: 67.72 ± 0.02°
• Cell volume: 579.6 ± 0.6 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: 0.0391
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes