Information card for entry 4323523

Structure parameters

• Formula: C15 H22 N2 O6 P W
• Calculated formula: C30 H40 N O7 P W
• SMILES: [W]1([P](CC(=O)O1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].O1CCCC1.[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: 17.101 ± 0.002 Å
• b: 13.31 ± 0.002 Å
• c: 14.13 ± 0.002 Å
• α: 90°
• β: 95.12 ± 0.01°
• γ: 90°
• Cell volume: 3203.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.0753
• Goodness-of-fit parameter for all reflections: 1.105
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No