Information card for entry 4314023

Structure parameters

• Formula: C84.2 H74.4 Cr N6 O3.4 P3 S5
• Calculated formula: C84.2 H74.4 Cr N6 O3.4 P3 S5
• Title of publication: X-ray Absorption Spectroscopic Studies of Chromium Nitroso Complexes. Crystal and Molecular Structure of (Ph4P)3[Cr(NO)(NCS)5].2.4(CH3)2CO
• Authors of publication: Aviva Levina; Peter Turner; Peter A. Lay
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5392 - 5398
• a: 13.401 ± 0.006 Å
• b: 17.707 ± 0.007 Å
• c: 18.773 ± 0.008 Å
• α: 77.902 ± 0.007°
• β: 78.326 ± 0.007°
• γ: 71.572 ± 0.007°
• Cell volume: 4088 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.357
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No