Information card for entry 7034186

Structure parameters

• Formula: C45 H63 Cl N4 Rh
• Calculated formula: C45 H63 Cl N4 Rh
• Title of publication: Pyridine versus acetonitrile coordination in rhodium-N-heterocyclic carbene square-planar complexes.
• Authors of publication: Palacios, Laura; Di Giuseppe, Andrea; Castarlenas, Ricardo; Lahoz, Fernando J.; Pérez-Torrente, Jesús J; Oro, Luis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5777 - 5789
• a: 10.1831 ± 0.0004 Å
• b: 20.6299 ± 0.0009 Å
• c: 19.8046 ± 0.0009 Å
• α: 90°
• β: 91.373 ± 0.001°
• γ: 90°
• Cell volume: 4159.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0527
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No