Information card for entry 8105904

Structure parameters

• Formula: C42 H44 Co2 N8 O7 S2
• Calculated formula: C42 H44 Co2 N8 O7 S2
• Title of publication: Crystal structure of poly[μ2-1,4-bis((1H-imidazol-1-yl)methyl)benzene-κ2 N:N′)-(μ2-4-sulfidobenzoate-κ2 O:S)cobalt(II)] dihydrate, C42H44Co2N8O7S2
• Authors of publication: Yin, Chonglan; Jiang, Wei; Dai, Jihong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 959 - 960
• a: 7.3941 ± 0.0006 Å
• b: 15.3043 ± 0.0014 Å
• c: 9.7831 ± 0.0007 Å
• α: 90°
• β: 101.315 ± 0.007°
• γ: 90°
• Cell volume: 1085.55 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No