Information card for entry 1571648

Structure parameters

• Common name: [Ru(phen)2phi](PF6)2
• Chemical name: bis(1,10-phenanthroline)-(phenanthrenediamine)-ruthenium hexafluorophosphate
• Formula: C38 H26 F0.05 N6 P0.05 Ru
• Calculated formula: C8 H5.8 F2.4 N1.4 P0.4 Ru0.2
• Title of publication: Re-pairing DNA: binding of a ruthenium phi complex to a double mismatch.
• Authors of publication: Prieto Otoya, Tayler D.; McQuaid, Kane T.; Paterson, Neil G.; Cardin, David J.; Kellett, Andrew; Cardin, Christine J.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 9096 - 9103
• a: 15.17387 ± 0.00007 Å
• b: 18.69703 ± 0.00008 Å
• c: 16.12642 ± 0.00007 Å
• α: 90°
• β: 98.0083 ± 0.0004°
• γ: 90°
• Cell volume: 4530.55 ± 0.03 ų
• Cell temperature: 294.7 ± 0.7 K
• Ambient diffraction temperature: 100 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: 0.0522
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No