Information card for entry 7015751

Structure parameters

• Formula: C77 H85 F6 N2 O3 P3 Ru S2
• Calculated formula: C77 H85 F6 N2 O3 P3 Ru S2
• SMILES: [Ru]1(SC(S1)=C1N(C2CCCCC2)C=CN1C1CCCCC1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C(=C\c1ccccc1)\C#Cc1ccccc1)C#[O].[P](F)(F)(F)(F)(F)[F-].O(CC)CC.O(CC)CC
• Title of publication: Dithiocarboxylate complexes of ruthenium(II) and osmium(II).
• Authors of publication: Naeem, Saira; Thompson, Amber L.; White, Andrew J. P.; Delaude, Lionel; Wilton-Ely, James D E T
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3737 - 3747
• a: 11.6709 ± 0.0002 Å
• b: 15.6018 ± 0.0003 Å
• c: 39.4957 ± 0.0008 Å
• α: 90°
• β: 93.1372 ± 0.0008°
• γ: 90°
• Cell volume: 7180.9 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.1314
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No