Information card for entry 4339217

Structure parameters

• Formula: C30 H39 Mo2 O2 P
• Calculated formula: C30 H39 Mo2 O2 P
• SMILES: [Mo]1234(=[P]5[Mo]6789%10%11%12%13%14([c]%155[cH]6[cH]7[cH]8[cH]9%15)[c]5([cH]%10[c]%11([cH]%12[c]%13([cH]%145)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 9.9404 ± 0.0003 Å
• b: 20.2853 ± 0.0007 Å
• c: 14.4831 ± 0.0005 Å
• α: 90°
• β: 96.217 ± 0.002°
• γ: 90°
• Cell volume: 2903.25 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No