Information card for entry 7228612

Structure parameters

• Formula: C49 H57 Mo2 O2 P Sn
• Calculated formula: C49 H57 Mo2 O2 P Sn
• SMILES: [Mo]1234([Sn](c5ccccc5)(c5ccccc5)c5ccccc5)([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)(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: 13.2651 ± 0.0001 Å
• b: 22.5628 ± 0.0002 Å
• c: 14.5925 ± 0.0001 Å
• α: 90°
• β: 94.564 ± 0.001°
• γ: 90°
• Cell volume: 4353.65 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No