Information card for entry 4331562

Structure parameters

• Formula: C29 H32 I N3 P2 Ru
• Calculated formula: C29 H32 I N3 P2 Ru
• SMILES: [Ru]1234(I)([P]56CN7CN(C6)CN(C5)C7)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Synthesis, Characterization, and DNA Binding of New Water-Soluble Cyclopentadienyl Ruthenium(II) Complexes Incorporating Phosphines
• Authors of publication: Romerosa, Antonio; Campos-Malpartida, Tatiana; Lidrissi, Chaker; Saoud, Mustapha; Serrano-Ruiz, Manuel; Peruzzini, Maurizio; Garrido-Cárdenas, Jose Antonio; García-Maroto, Federico
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1289 - 1298
• a: 9.891 ± 0.0004 Å
• b: 18.823 ± 0.0007 Å
• c: 14.4419 ± 0.0006 Å
• α: 90°
• β: 98.499 ± 0.001°
• γ: 90°
• Cell volume: 2659.24 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No