Information card for entry 4085190

Structure parameters

• Formula: C64 H61 N O5 P2 Ru S2
• Calculated formula: C64 H61 N O5 P2 Ru S2
• SMILES: [Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([S]=C(S1)N1CCOCCOCCOCCOCC1)(/C(=C/c1ccccc1)C#Cc1ccccc1)C#[O]
• Title of publication: Multimetallic Alkenyl Complexes Bearing Macrocyclic Dithiocarbamate Ligands
• Authors of publication: Toscani, Anita; Heliövaara, Eeva K.; Hena, Jubeda B.; White, Andrew J. P.; Wilton-Ely, James D. E. T.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 494
• a: 13.03464 ± 0.00008 Å
• b: 19.81564 ± 0.0001 Å
• c: 21.39853 ± 0.00012 Å
• α: 90°
• β: 101.643 ± 0.0006°
• γ: 90°
• Cell volume: 5413.3 ± 0.05 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0265
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No