Information card for entry 8102386

Structure parameters

• Formula: C34 H28 Co N4 O6
• Calculated formula: C34 H28 Co N4 O6
• SMILES: [Co]123(OC(=O)c4ccccc4c4ccccc4C(=O)O1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.O.O
• Title of publication: Crystal structure of bis(2,2'-bipyridyl-N,N')-(2,2'-diphenyldicarboxylato-O,O')cobalt(II) dihydrate, Co(C10H8N2)2(C14H8O4) · 2H2O
• Authors of publication: Qiao-Chu Zhang; Xi-Yuan Yan; Mu-Wang Chen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 2
• Pages of publication: 174
• a: 38.838 ± 0.006 Å
• b: 8.0227 ± 0.0012 Å
• c: 20.319 ± 0.003 Å
• α: 90°
• β: 107.665 ± 0.002°
• γ: 90°
• Cell volume: 6032.6 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0949
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No