Information card for entry 4331127

Structure parameters

• Formula: C73 H56 Cl3 F24 N21 O2 P4 Ru2
• Calculated formula: C73 H56 Cl3 F24 N21 O2 P4 Ru2
• Title of publication: Pteridine Cleavage Facilitates DNA Photocleavage by Ru(II) Polypyridyl Compounds
• Authors of publication: Benjamin R. Williams; Shannon R. Dalton; Meredith Skiba; Sung Eun Kim; Allison Shatz; Patrick J. Carroll; Sharon J. Nieter Burgmayer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12669 - 12681
• a: 12.5301 ± 0.0009 Å
• b: 17.2969 ± 0.0011 Å
• c: 21.1287 ± 0.0014 Å
• α: 99.01 ± 0.003°
• β: 106.559 ± 0.002°
• γ: 103.733 ± 0.002°
• Cell volume: 4138.3 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2539
• Weighted residual factors for all reflections included in the refinement: 0.2914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No