Information card for entry 4339218

Structure parameters

• Formula: C36 H45 Mo2 O6 P
• Calculated formula: C36 H45 Mo2 O6 P
• SMILES: [Mo]12345([P]6([Mo]789%10%11%12%13%14%15([c]%166[cH]7[cH]8[cH]9[cH]%10%16)[c]6([cH]%11[c]%12([cH]%13[c]%14([cH]%156)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=C1C(=O)OC)C(=O)OC)(C#[O])(C#[O])[cH]1[cH]5[cH]4[cH]3[cH]21
• Title of publication: Carbene- and carbyne-like behavior of the Mo-P multiple bond in a dimolybdenum complex inducing trigonal-pyramidal coordination of a phosphinidene ligand.
• Authors of publication: Alvarez, M. Angeles; Amor, Inmaculada; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6230 - 6232
• a: 9.518 ± 0.002 Å
• b: 17.702 ± 0.004 Å
• c: 20.549 ± 0.005 Å
• α: 90°
• β: 96.351 ± 0.004°
• γ: 90°
• Cell volume: 3441 ± 1.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No