Information card for entry 1505025

Structure parameters

• Common name: [p-CymRuCl(anthraimid)2]BPh4
• Formula: C27 H26 Cl2 N2 Ru
• Calculated formula: C27 H26 Cl2 N2 Ru
• SMILES: c1[n]([Ru]23456(Cl)(Cl)[c]7([cH]2[cH]3[c]4([cH]5[cH]67)C)C(C)C)ccn1c1c2ccccc2cc2ccccc12
• Title of publication: Development of ruthenium antitumor drugs that overcome multidrug resistance mechanisms.
• Authors of publication: Vock, Carsten A.; Ang, Wee Han; Scolaro, Claudine; Phillips, Andrew D.; Lagopoulos, Lucienne; Juillerat-Jeanneret, Lucienne; Sava, Gianni; Scopelliti, Rosario; Dyson, Paul J.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2007
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 2166 - 2175
• a: 14.34 ± 0.002 Å
• b: 12.4234 ± 0.0015 Å
• c: 15.156 ± 0.0017 Å
• α: 90°
• β: 117.502 ± 0.009°
• γ: 90°
• Cell volume: 2394.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0915
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No