Information card for entry 7019919

Structure parameters

• Formula: C49 H49 F6 N8 O2 P Ru
• Calculated formula: C49 H49 F6 N8 O2 P Ru
• SMILES: c12c3cccc2N2C(=[Ru]451(=C1N3C=CN1CCCC)[n]1c(c3[n]4cccc3)cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc1c1[n]5cccc1)N(C=C2)CCCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cyclometalated ruthenium(ii) complexes with a bis-carbene CCC-pincer ligand.
• Authors of publication: Zhang, You-Ming; Shao, Jiang-Yang; Yao, Chang-Jiang; Zhong, Yu-Wu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 31
• Pages of publication: 9280 - 9282
• a: 12.0094 ± 0.0017 Å
• b: 12.0094 ± 0.0017 Å
• c: 32.467 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4682.6 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.1079
• Weighted residual factors for significantly intense reflections: 0.2735
• Weighted residual factors for all reflections included in the refinement: 0.282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No