Information card for entry 7015253

Structure parameters

• Formula: C38 H52 Cl2 F12 N12 O3 P2 Ru2 S2
• Calculated formula: C35.708 H48.316 Cl2 F12 N11.1 O2.877 P2 Ru2 S2
• Title of publication: Transition metal complexes of the novel hexadentate ligand 1,4-bis(di(N-methylimidazol-2-yl)methyl)phthalazine.
• Authors of publication: Roggan, Stefan; Limberg, Christian; Knispel, Christina; Tilley, T. Don
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4315 - 4323
• a: 33.4681 ± 0.0012 Å
• b: 13.7678 ± 0.0005 Å
• c: 11.1687 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5146.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No