Information card for entry 4079516

Structure parameters

• Formula: C32 H39 Cl6 N2 O Ru2
• Calculated formula: C32 H39 Cl6 N2 O Ru2
• SMILES: [Ru]123([Cl][Ru]45678([Cl]1)([O]3Cc1c(N3C=2N(C=C3)c2c(cc(cc2C)C)C)c(cc(c1)C)C)[c]1([cH]5[cH]6[c]7([cH]8[cH]41)C(C)C)C)(Cl)Cl.C(Cl)Cl
• Title of publication: Activation of Nitrous Oxide by Dinuclear Ruthenium Complexes
• Authors of publication: Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7235
• a: 17.138 ± 0.005 Å
• b: 12.6913 ± 0.0017 Å
• c: 16.175 ± 0.004 Å
• α: 90°
• β: 100.96 ± 0.02°
• γ: 90°
• Cell volume: 3453.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1283
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No