Information card for entry 4329138

Structure parameters

• Chemical name: 3
• Formula: C54.5 H54.47 Cl7 Co2 N3 O9 P3
• Calculated formula: C54.498 H54.47 Cl6.99 Co2 N3 O9 P3
• Title of publication: Syntheses and Structures of Three Complexes of Formulas [L3Co(μ2-O2P(Bn)2)3CoL'][L"], Featuring Octahedral and Tetrahedral Cobalt(II) Geometries; Variable-Temperature Magnetic Susceptibility Measurement and Analysis on [(py)3Co(μ2-O2PBn2)3Co(py)][ClO4]
• Authors of publication: John S. Maass; Matthias Zeller; Tanya M. Breault; Bart M. Bartlett; Hiroshi Sakiyama; Rudy L. Luck
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4903 - 4905
• a: 14.958 ± 0.002 Å
• b: 20.615 ± 0.003 Å
• c: 20.993 ± 0.003 Å
• α: 90°
• β: 102.314 ± 0.006°
• γ: 90°
• Cell volume: 6324.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No