Information card for entry 4069677

Structure parameters

• Formula: C26 H27 Cl3 N3 O2 Rh
• Calculated formula: C26 H27 Cl3 N3 O2 Rh
• SMILES: [Rh]12345(Cl)([n]6cccc6=C(c6n1ccc6)c1ccc(N(=O)=O)cc1)[c]1(C)[c]4([c]3([c]2(C)[c]51C)C)C.ClCCl
• Title of publication: First Examples of Heteroleptic Dipyrrin/η5-Pentamethylcyclopentadienyl Rhodium/Iridium(III) Complexes and Their Catalytic Activity
• Authors of publication: Yadav, Mahendra; Singh, Ashish Kumar; Pandey, Daya Shankar
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4713
• a: 13.2123 ± 0.0011 Å
• b: 16.6245 ± 0.0014 Å
• c: 23.926 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5255.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No