Information card for entry 4075708

Structure parameters

• Formula: C42 H47 Mo2 O2 P Sn
• Calculated formula: C42 H47 Mo2 O2 P Sn
• SMILES: [Mo]123456([Mo]789%10([Sn]1(c1ccccc1)(c1ccccc1)c1ccccc1)([P]2(C1CCCCC1)C1CCCCC1)(C#[O])[cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31
• Title of publication: A Triply Bonded Dimolybdenum Hydride Complex with Acid, Base and Radical Activity
• Authors of publication: Alvarez, Celedonio M.; Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.; Lanfranchi, Maurizio; Tiripicchio, Antonio
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 7
• a: 8.974 ± 0.002 Å
• b: 12.207 ± 0.003 Å
• c: 17.457 ± 0.004 Å
• α: 94.374 ± 0.004°
• β: 97.325 ± 0.004°
• γ: 95.911 ± 0.004°
• Cell volume: 1878.9 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No