Information card for entry 7001550

Structure parameters

• Formula: C25 H25 Cl7 N2 Ru
• Calculated formula: C25 H25 Cl7 N2 Ru
• SMILES: [Ru]123456(Cl)([NH]=C7c8ccccc8Nc8cccc1c78)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: A novel ruthenium(ii) arene based intercalator with potent anticancer activity
• Authors of publication: Ruiz, José; Vicente, Consuelo; de Haro, Concepción; Bautista, Delia
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 26
• Pages of publication: 5071 - 5073
• a: 10.0644 ± 0.0005 Å
• b: 10.3143 ± 0.0005 Å
• c: 16.293 ± 0.0007 Å
• α: 92.316 ± 0.002°
• β: 105.858 ± 0.002°
• γ: 118.575 ± 0.002°
• Cell volume: 1399.17 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No