Information card for entry 4303268

Structure parameters

• Formula: C30 H27 Mo2 N O4 P Re
• Calculated formula: C30 H27 Mo2 N O4 P Re
• SMILES: [Mo]123456([Mo]789%10([P]1(c1ccccc1)c1ccccc1)(O2)(=O)[cH]1[cH]7[cH]8[cH]9[cH]%101)(=N[Re]1278(C#[O])(C#[O])[c]9([cH]1[cH]2[cH]7[cH]89)C)[cH]1[cH]6[cH]5[cH]4[cH]31
• Title of publication: Low-Temperature N-O Bond Cleavage in Nitrosyl Ligands Induced by the Unsaturated Dimolybdenum Anion [Mo2(η5-C5H5)2(μ-PPh2)(μ-CO)2]-
• Authors of publication: M. Esther García; Daniel García-Vivó; Sonia Melón; Miguel A. Ruiz; Claudia Graiff; Antonio Tiripicchio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9282 - 9293
• a: 11.186 ± 0.004 Å
• b: 15.058 ± 0.005 Å
• c: 9.851 ± 0.003 Å
• α: 79.09 ± 0.03°
• β: 64.21 ± 0.02°
• γ: 72.91 ± 0.03°
• Cell volume: 1424.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No