Information card for entry 7031179

Structure parameters

• Formula: C47 H52 Mo O4 P2 Ru
• Calculated formula: C47 H52 Mo O4 P2 Ru
• SMILES: [Mo]1234([P](c5ccccc5)(c5ccccc5)C[P](c5ccccc5)(c5ccccc5)[Ru]5678([c]9([c]5([c]6([c]7([c]89C)C)C)C)C)C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O].O(CC)CC
• Title of publication: Synthesis, characterization and reactivity of heterobimetallic complexes (?5-C5R5)Ru(CO)(�-dppm)M(CO)2(?5-C5H5) (R = H, CH3; M = Mo, W). Interconversion of hydrogen/carbon dioxide and formic acid by these complexesElectronic supplementary information (ESI) available: Selected bond lengths and angles and ORTEP diagrams for complexes 2?4 and 6�Cl and discussion on the structure of 6�Cl. See http://www.rsc.org/suppdata/dt/b3/b306835h/
• Authors of publication: Man, Man Lok; Zhou, Zhongyuan; Ng, Siu Man; Lau, Chak Po
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3727
• a: 13.2833 ± 0.0019 Å
• b: 15.64 ± 0.002 Å
• c: 21.157 ± 0.003 Å
• α: 90°
• β: 105.055 ± 0.003°
• γ: 90°
• Cell volume: 4244.5 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.791
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No