Information card for entry 4323521

Structure parameters

• Formula: C16 H29 Cr N2 O7
• Calculated formula: C16 H28 Cr N2 O6
• SMILES: [Cr]1(OC(=O)C[N]1(C)C)(C#[O])(C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC
• Title of publication: Amino Acid Complexes of Metal Carbonyls: Mechanistic Aspects of the CO-Labilizing Ability of Glycinate Ligands in Zero-Valent Chromium and Tungsten Derivatives
• Authors of publication: Donald J. Darensbourg; Jennifer D. Draper; Joseph H. Reibenspies
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 3648 - 3656
• a: 11.558 ± 0.002 Å
• b: 11.519 ± 0.002 Å
• c: 14.964 ± 0.003 Å
• α: 90°
• β: 96 ± 0.03°
• γ: 90°
• Cell volume: 1981.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0522
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.0886
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No