Information card for entry 7044600

Structure parameters

• Formula: C25 H32 Cl2 N P Ru
• Calculated formula: C25 H32 Cl2 N P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](NC(C)C)(c6ccccc6)c6ccccc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
• Title of publication: Aminophosphine Ligands as a Privileged Platform for Development of Antitumoral Ruthenium(II) Arene Complexes
• Authors of publication: Broomfield, Lewis Marc; Alonso-Moreno, Carlos; Martin, Eddy; Shafir, Alexandr; Posadas, Inmaculada; Ceña, Valentín; Castro-Osma, José Antonio
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.0527 ± 0.0005 Å
• b: 14.1683 ± 0.0007 Å
• c: 17.5477 ± 0.0009 Å
• α: 90°
• β: 100.426 ± 0.0014°
• γ: 90°
• Cell volume: 2458 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No