Information card for entry 7039900

Structure parameters

• Formula: C38 H44 F12 N10 O P2 Ru
• Calculated formula: C38 H44 F12 N10 O P2 Ru
• Title of publication: Ruthenium bistridentate complexes with non-symmetrical hexahydro-pyrimidopyrimidine ligands: a structural and theoretical investigation of their optical and electrochemical properties.
• Authors of publication: Laramée-Milette, Baptiste; Hanan, Garry S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 31
• Pages of publication: 12507 - 12517
• a: 11.308 ± 0.0004 Å
• b: 26.7172 ± 0.0008 Å
• c: 14.0045 ± 0.0005 Å
• α: 90°
• β: 99.477 ± 0.001°
• γ: 90°
• Cell volume: 4173.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No