Information card for entry 4075709

Structure parameters

• Formula: C32 H37 Mo3 O5 P
• Calculated formula: C32 H37 Mo3 O5 P
• SMILES: [Mo]123456([Mo]789%10([C]1(=O)[Mo]1%11%12%13(C#[O])(C#[O])[cH]%14[cH]1[cH]%11[cH]%12[cH]%13%14)([P]2(C1CCCCC1)C1CCCCC1)(C#[O])[cH]1[cH]9[cH]%10[cH]7[cH]81)(C#[O])[cH]1[cH]4[cH]5[cH]6[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: 9.704 ± 0.003 Å
• b: 22.494 ± 0.006 Å
• c: 14.465 ± 0.004 Å
• α: 90°
• β: 109.17 ± 0.03°
• γ: 90°
• Cell volume: 2982.4 ± 1.6 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 293 ± 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: 0.0818
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No