Information card for entry 4333760

Structure parameters

• Formula: C42 H34 B Cl5 N8 P2 Ru
• Calculated formula: C42 H34 B Cl5 N8 P2 Ru
• SMILES: [Ru]123([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([n]1n([BH](n4[n]2ccc4)n2[n]3ccc2)ccc1)N=C=Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
• Title of publication: Phenylcyanamidoruthenium Scorpionate Complexes
• Authors of publication: Carmen Harb; Pavel Kravtsov; Mohommad Choudhuri; Eric R. Sirianni; Glenn P. A. Yap; A. B. P. Lever; Robert J. Crutchley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1621 - 1630
• a: 20.198 ± 0.004 Å
• b: 25.05 ± 0.005 Å
• c: 16.714 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8457 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No