Information card for entry 8103347

Structure parameters

• Chemical name: monoaqua-tri(2-(2-pyridyl)benzimidazole) cobalt
• Formula: C36 H26 Co N9 O
• Calculated formula: C36 H26 Co N9 O
• SMILES: [Co]123(n4c5ccccc5nc4c4[n]2cccc4)([n]2c(cccc2)c2n1c1c(n2)cccc1)n1c(nc2c1cccc2)c1cccc[n]31.O
• Title of publication: Crystal structure of tris(2-(2-pyridyl)benzimidazole)cobalt(III) monohydrate, Co(C12H8N3)3 · H2O
• Authors of publication: Daocheng Xia; Xiuying Ma; Jingxia Ma; Jihuan Yao; Xuqing Yang; Qingyang Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 243
• a: 13.329 ± 0.0005 Å
• b: 12.5385 ± 0.0005 Å
• c: 18.3604 ± 0.0008 Å
• α: 90°
• β: 103.007 ± 0.004°
• γ: 90°
• Cell volume: 2989.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No