Information card for entry 7023310

Structure parameters

• Formula: C24 H38 Cl2 I N6 O2 P Ru
• Calculated formula: C24 H38 Cl2 I N6 O2 P Ru
• SMILES: C1[N+]2(CN3C[P]1(CN(C3)C2)[Ru]12([N]3[C@@H](C(C)C)COC=3c3cccc(C4=[N]2[C@H](CO4)C(C)C)[n]13)(Cl)Cl)C.[I-]
• 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: 13.5047 ± 0.0002 Å
• b: 23.249 ± 0.0005 Å
• c: 24.3739 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7652.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No