Information card for entry 4316616

Structure parameters

• Formula: C9 H9 Cr N O7
• Calculated formula: C9 H9 Cr N O7
• SMILES: C([Cr](C#[O])(C#[O])(C#[O])(C#[O])[NH2][C@H](C)C(=O)OC)#[O]
• Title of publication: Group 6 Carbon Monoxide-Releasing Metal Complexes with Biologically-Compatible Leaving Groups
• Authors of publication: Wei-Qiang Zhang; Adrian C. Whitwood; Ian J. S. Fairlamb; Jason M. Lynam
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8941 - 8952
• a: 6.5836 ± 0.0004 Å
• b: 10.1932 ± 0.0007 Å
• c: 18.1889 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1220.62 ± 0.14 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No