Information card for entry 8105834

Structure parameters

• Formula: C26 H23 Br Co N9 O5
• Calculated formula: C26 H23 Br Co N9 O5
• Title of publication: Crystal structure of poly[bis(μ2-4-bromoisophthalate-κ2 O:O′)-tris(μ2-1-(3-((1H-1,2,4-triazol-1-yl)methyl)benzyl)-1H-1,2,4-triazole-κ2 N:N′)dicobalt(II)] monohydrate, C26H23CoN9O5Br
• Authors of publication: Sun, Tao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 733 - 735
• a: 8.3522 ± 0.001 Å
• b: 13.6076 ± 0.0016 Å
• c: 14.1628 ± 0.0017 Å
• α: 64.664 ± 0.001°
• β: 76.13 ± 0.001°
• γ: 79.045 ± 0.001°
• Cell volume: 1405.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No