Information card for entry 2021815

Structure parameters

• Chemical name: Poly[[bis(2-amino-4-sulfonatobenzoato-κ<i>O</i>^1^)tetraaquatris{μ-1,4-bis[(imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}dicobalt(II)] tetrahydrate]
• Formula: C28 H34 Co N7 O9 S
• Calculated formula: C28 H34 Co N7 O9 S
• Title of publication: Band gap, sorption properties and fluorescence sensing behaviour of a novel 1D→2D cathenane-like cobalt(II)‒organic framework
• Authors of publication: Zhang, Chong; Zhang, Qing-Hong; Zhang, Kou-Lin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 12
• a: 10.8248 ± 0.001 Å
• b: 21.331 ± 0.002 Å
• c: 13.546 ± 0.0015 Å
• α: 90°
• β: 94.595 ± 0.003°
• γ: 90°
• Cell volume: 3117.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes