Information card for entry 4509068

Structure parameters

• Formula: C42 H33 Co N12 O3
• Calculated formula: C42 H33 Co N12 O3
• SMILES: c12c3[nH]c4c([n]3[Co]35(n1c1ccccc1n2)(n1c(c2[nH]c6c([n]32)cccc6)nc2c1cccc2)n1c(c2[nH]c3c([n]52)cccc3)nc2c1cccc2)cccc4.O.O.O
• Title of publication: Hydrothermal Syntheses and Structural Diversity of Cobalt Complexes with 2,2′-Bibenzimidazole Ligand by Temperature Tuning Strategy
• Authors of publication: Mo, Hao-Jun; Zhong, Yong-Rui; Cao, Man-Li; Ou, Yong-Cong; Ye, Bao-Hui
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 488
• a: 24.6815 ± 0.001 Å
• b: 24.6815 ± 0.001 Å
• c: 24.6815 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15035.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No