Information card for entry 7031181

Structure parameters

• Formula: C47 H52 O4 P2 Ru W
• Calculated formula: C47 H52 O4 P2 Ru W
• SMILES: [Ru]1234([P](c5ccccc5)(c5ccccc5)C[P](c5ccccc5)(c5ccccc5)[W]5678([cH]9[cH]5[cH]6[cH]7[cH]89)(C#[O])C#[O])([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)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: 13.246 ± 0.002 Å
• b: 15.526 ± 0.002 Å
• c: 21.175 ± 0.003 Å
• α: 90°
• β: 104.618 ± 0.004°
• γ: 90°
• Cell volume: 4213.8 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.695
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No