Information card for entry 4316614

Structure parameters

• Formula: C19 H17 Cr N O8
• Calculated formula: C19 H17 Cr N O8
• SMILES: C([Cr](C#[O])(C#[O])(C#[O])(C#[O])=C(C=C(NCC(=O)OCC)c1ccccc1)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: 12.0095 ± 0.0015 Å
• b: 7.7905 ± 0.001 Å
• c: 21.25 ± 0.003 Å
• α: 90°
• β: 95.114 ± 0.003°
• γ: 90°
• Cell volume: 1980.2 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No