Information card for entry 8102629

Structure parameters

• Formula: C34 H28 Co N4 O11 S2
• Calculated formula: C34 H28 Co N4 O11 S2
• SMILES: O.c1cccc2c3cccc[n]3[Co]3([n]4c(c5cccc[n]35)cccc4)([n]12)(OS(=O)(=O)c1ccc2c(c1)C(=O)c1c(cc(cc1)S(=O)(=O)[O-])C2=O)[OH2].O
• Title of publication: Crystal structure of monoaqua-bis(2,2-bipyridine)-(anthraquinone-2,6-disulfonato)cobalt(II) dihydrate, Co(H2O)(C10H8N2)2(C14H6O8S2) · 2H2O
• Authors of publication: Hong-Mei Chai; Lou-Jun Gao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 124
• a: 29.61 ± 0.006 Å
• b: 9.47 ± 0.0019 Å
• c: 24.18 ± 0.005 Å
• α: 90°
• β: 99.72 ± 0.03°
• γ: 90°
• Cell volume: 6683 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No