Information card for entry 4109419

Structure parameters

• Formula: C52 H83 Cr O
• Calculated formula: C52 H83 Cr O
• SMILES: [Cr](c1c(c(cc(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[O]1CCCC1.CCCCCC
• Title of publication: Monomeric, Two-Coordinate, Univalent Chromium(I) Compounds: Steric Prevention of Metal-Metal Bond Formation
• Authors of publication: Robert Wolf; Marcin Brynda; Chengbao Ni; Gary J. Long; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 6076 - 6077
• a: 9.7312 ± 0.0009 Å
• b: 27.14 ± 0.002 Å
• c: 18.5072 ± 0.0017 Å
• α: 90°
• β: 90.61 ± 0.001°
• γ: 90°
• Cell volume: 4887.6 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No