Information card for entry 7053688

Structure parameters

• Formula: C30 H26 Mo N2 O7 P
• Calculated formula: C30 H26 Mo N2 O7 P
• SMILES: [Mo]([P](c1ccc(cc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: First example of a metal(0) carbonyl complex with a paramagnetic nitronyl nitroxide-substituted triphenylphosphine ligand
• Authors of publication: Rancurel, Corinne; Sutter, Jean-Pascal; Le Hoerff, Thierry; Ouahab, Lahcène; Kahn, Olivier
• Journal of publication: New Journal of Chemistry
• Year of publication: 1998
• Journal volume: 22
• Journal issue: 12
• Pages of publication: 1333
• a: 14.86 ± 0.01 Å
• b: 13.641 ± 0.002 Å
• c: 15.399 ± 0.007 Å
• α: 90°
• β: 103.81 ± 0.02°
• γ: 90°
• Cell volume: 3031 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No