Information card for entry 7228614

Structure parameters

• Formula: C31 H43 Mo2 O2 P
• Calculated formula: C31 H43 Mo2 O2 P
• SMILES: [Mo]1234(P([Mo]56789%10%11%12%13([cH]%14[cH]5[cH]6[cH]7[cH]8%14)[cH]5[c]9([cH]%10[c]%11([cH]%12[c]%135C(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: Sn‒H bond additions to asymmetric trigonal phosphinidene-bridged dimolybdenum complexes
• Authors of publication: Alvarez, M. Angeles; Amor, Inmaculada; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Suárez, Jaime
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 53
• Pages of publication: 33293
• a: 12.3155 ± 0.0003 Å
• b: 16.736 ± 0.0004 Å
• c: 15.9369 ± 0.0006 Å
• α: 90°
• β: 116.248 ± 0.001°
• γ: 90°
• Cell volume: 2946.09 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No