Information card for entry 7050165

Structure parameters

• Common name: Dichlorobis(triphenylphosphine oxide)zinc(ii)
• Formula: C81 H77 F3 N3 O6 P4 Re Ru S
• Calculated formula: C81 H77 F3 N3 O6 P4 Re Ru S
• SMILES: [Re]1([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)([n]1ccc(cc1)C#C[RuH]12([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F
• Title of publication: 4-Ethynylpyridine as bridging moiety in mixed Ru/Re complexes
• Authors of publication: Fritz E. Kühn; Jing-Lin Zuo; Fabrizia Fabrizi de Biani; Ana M. Santos; Yanmei Zhang; Jin Zhao; Angela Sandulache; Eberhardt Herdtweck
• Journal of publication: New J. Chem.
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 43 - 51
• a: 13.353 ± 0.0001 Å
• b: 17.5779 ± 0.0001 Å
• c: 17.4987 ± 0.0002 Å
• α: 90°
• β: 99.3274 ± 0.0003°
• γ: 90°
• Cell volume: 4052.95 ± 0.06 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 9
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No