Information card for entry 4316618

Structure parameters

• Formula: C9 H9 Mo N O7
• Calculated formula: C9 H9 Mo N O7
• SMILES: C([Mo](C#[O])(C#[O])(C#[O])(C#[O])[NH2]CC(=O)OCC)#[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: 13.0857 ± 0.0008 Å
• b: 15.517 ± 0.0008 Å
• c: 6.9481 ± 0.0004 Å
• α: 90°
• β: 116.015 ± 0.001°
• γ: 90°
• Cell volume: 1267.87 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0153
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No