Information card for entry 7023308

Structure parameters

• Formula: C23 H35 Cl2 N6 O2 P Ru
• Calculated formula: C23 H35 Cl2 N6 O2 P Ru
• SMILES: C1N2CN3C[P]1(CN(C2)C3)[Ru]12(Cl)(Cl)[N]3[C@@H](C(C)C)COC=3c3cccc(C4=[N]2[C@H](CO4)C(C)C)[n]13
• Title of publication: Antitumor activity of new enantiopure pybox-ruthenium complexes.
• Authors of publication: Menéndez-Pedregal, Estefania; Díez, Josefina; Manteca, Ángel; Sánchez, Jesús; Bento, Ana C.; García-Navas, Rósula; Mollinedo, Faustino; Gamasa, M. Pilar; Lastra, Elena
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 38
• Pages of publication: 13955 - 13967
• a: 11.7278 ± 0.0001 Å
• b: 12.5536 ± 0.0001 Å
• c: 18.5962 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2737.85 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No