Information card for entry 4069678

Structure parameters

• Formula: C45.61 H37.14 F3 N3 O3 P Rh S
• Calculated formula: C45.608 H37.144 F3 N3 O3 P Rh S
• 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: 15.3601 ± 0.0014 Å
• b: 13.4016 ± 0.0011 Å
• c: 19.6671 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4048.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No