Information card for entry 7031183

Structure parameters

• Formula: C40 H37 Cl5 O3 P2 Ru W
• Calculated formula: C40 H37 Cl5 O3 P2 Ru W
• SMILES: [W]12345([H][Ru]6789([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([cH]1[cH]6[cH]7[cH]8[cH]91)C#[O])([cH]1[cH]2[cH]3[cH]4[cH]51)(C#[O])C#[O].[Cl-].C(Cl)Cl.C(Cl)Cl
• 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: 9.1011 ± 0.0019 Å
• b: 23.816 ± 0.005 Å
• c: 19.937 ± 0.004 Å
• α: 90°
• β: 98.592 ± 0.004°
• γ: 90°
• Cell volume: 4272.9 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.2343
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No