Information card for entry 8106757

Structure parameters

• Formula: C36 H48 Co N2 O28 S2
• Calculated formula: C36 H48 Co N2 O28 S2
• Title of publication: Synthesis and crystal structure of trans-tetraqua-bis(2-(((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)ammonio)acetato-κO)cobalt(II) hexahydrate, C36H48CoN2O28S2
• Authors of publication: Chen, Hai-Lin; Lai, Hong-Fang; Wei, Lian-Qiang; Jiang, Li-Rong; Su, Yan-Xiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 1025 - 1027
• a: 18.2239 ± 0.0013 Å
• b: 7.1282 ± 0.0006 Å
• c: 17.855 ± 0.0013 Å
• α: 90°
• β: 97.883 ± 0.002°
• γ: 90°
• Cell volume: 2297.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1853
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No