Information card for entry 4322298

Structure parameters

• Formula: C84 H68 Cr N3 O5 P4 S
• Calculated formula: C83.82 H64 Cr N3 O4.72 P4 S
• Title of publication: Structural and Spectroscopic Studies of 16-Electron, Unsaturated Derivatives of Low-Valent, Group 6 Carbonyl Complexes Containing π-Donor Ligands
• Authors of publication: Donald J. Darensbourg; Jennifer D. Draper; Brian J. Frost; Joseph H. Reibenspies
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4705 - 4714
• a: 13.869 ± 0.003 Å
• b: 23.128 ± 0.005 Å
• c: 12.056 ± 0.002 Å
• α: 104.84 ± 0.03°
• β: 106.91 ± 0.03°
• γ: 95.29 ± 0.03°
• Cell volume: 3517.9 ± 1.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2001
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections: 0.2404
• Weighted residual factors for significantly intense reflections: 0.1878
• Goodness-of-fit parameter for all reflections: 1.003
• Goodness-of-fit parameter for significantly intense reflections: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No