Information card for entry 8107152

Structure parameters

• Formula: C60 H51 Cl3 Co2 N16 O16
• Calculated formula: C60 H51 Cl3 Co2 N16 O16
• Title of publication: Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ3 N](isonicotinate-κO) cobalt(II) [tris(2-benzimidazolylmethyl)amine-κ3 N](isonicotinic acid-κO) cobalt(II) triperchlorate, C60H51N16O16Cl3Co2
• Authors of publication: Zhang, Ting-Ting; Li, Guan-Nan; Nie, Feng-Mei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1223 - 1227
• a: 35.652 ± 0.004 Å
• b: 14.1314 ± 0.0016 Å
• c: 25.141 ± 0.003 Å
• α: 90°
• β: 105.113 ± 0.002°
• γ: 90°
• Cell volume: 12228 ± 2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No