Information card for entry 1562568

Structure parameters

• Formula: C32 H26 Br2 Co N4 O4
• Calculated formula: C32 H26 Br2 Co N4 O4
• SMILES: [Co]12([n]3c4c(n(CCCCn5c6c([n]([Co]78([O]=C(O8)c8ccc(Br)cc8)[O]=C(O7)c7ccc(Br)cc7)c5)cccc6)c3)cccc4)([O]=C(O1)c1ccc(Br)cc1)([n]1c3c(n(CCCCn4c5c(nc4)cccc5)c1)cccc3)[O]=C(O2)c1ccc(Br)cc1
• Title of publication: Aromatic carboxylate effect on dimensionality of three bis(benzimidazole)-based cobalt(II) coordination polymers: Syntheses, structures and properties
• Authors of publication: Zhang, Ju-Wen; Gong, Chun-Hua; Hou, Li-Li; Tian, Ai-Xiang; Wang, Xiu-Li
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 205
• Pages of publication: 104 - 109
• a: 25.419 ± 0.003 Å
• b: 10.6458 ± 0.0013 Å
• c: 11.62 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3144.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No