Information card for entry 4064729

Structure parameters

• Formula: C35 H51 Cl N4 O Ru
• Calculated formula: C35 H51 Cl N4 O Ru
• SMILES: [Ru]12345(Cl)(N(N=NN1CCc1ccccc1)CCc1ccccc1)[c]1([cH]2[c]3([c]4([c]51C(C)(C)C)CC(C)(C)C)C(C)(C)C)OC
• Title of publication: Beyond Click-Chemistry: Transformation of Azides with Cyclopentadienyl Ruthenium Complexes
• Authors of publication: Risse, Julie; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3412
• a: 22.994 ± 0.003 Å
• b: 10.4455 ± 0.0017 Å
• c: 29.512 ± 0.006 Å
• α: 90°
• β: 98.107 ± 0.007°
• γ: 90°
• Cell volume: 7017 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No