Information card for entry 8102854

Structure parameters

• Chemical name: aqua[o-methylbenzoylbenzoato-k2:O:O'] Bis [1,10-phenanthroline-k2:N:N']Cobalt(II), [Co(phen) (C15H11O3)2](H2O)2
• Formula: C42 H34 Co N2 O8
• Calculated formula: C42 H34 Co N2 O8
• Title of publication: Crystal structure of diaqua(1,10-phenanthroline-k2N,N')bis[o-(4-methylbenzoyl)benzoato-k2O,O']cobalt(II), Co(H2O)2(C12H8N2)(C15H11O3)2
• Authors of publication: Wei Li; Chang-Hong Li; Ying-Qun Yang; Xiong-Wen Tan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 747
• a: 27.75 ± 0.006 Å
• b: 10.153 ± 0.002 Å
• c: 14.204 ± 0.003 Å
• α: 90°
• β: 117.78 ± 0.03°
• γ: 90°
• Cell volume: 3540.7 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0358
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No