Information card for entry 4323522

Structure parameters

• Formula: C18 H32 N2 O6 W
• Calculated formula: C18 H32 N2 O6 W
• SMILES: [W]1(OC(=O)[C@@H]([NH2]1)C(C)(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: 11.976 ± 0.002 Å
• b: 11.745 ± 0.002 Å
• c: 16.646 ± 0.002 Å
• α: 90°
• β: 110.05 ± 0.01°
• γ: 90°
• Cell volume: 2199.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections: 0.1808
• Weighted residual factors for significantly intense reflections: 0.1368
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for significantly intense reflections: 0.926
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No