Information card for entry 4317700

Structure parameters

• Formula: C16 H12 Cl2 N2 O6 Ru
• Calculated formula: C16 H12 Cl2 N2 O6 Ru
• SMILES: [Ru]1(Cl)(Cl)([n]2c(cccc2c2[n]1c(ccc2)C(=O)OC)C(=O)OC)(C#[O])C#[O]
• Title of publication: Ruthenium Complexes of Analogues of the Antitumor Antibiotic Streptonigrin
• Authors of publication: Pia I. Anderberg; Margaret M. Harding; Ian J. Luck; Peter Turner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1365 - 1371
• a: 8.917 ± 0.002 Å
• b: 13.569 ± 0.003 Å
• c: 7.827 ± 0.002 Å
• α: 93.78 ± 0.004°
• β: 100.158 ± 0.004°
• γ: 100.539 ± 0.004°
• Cell volume: 911.7 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No