Information card for entry 7034189

Structure parameters

• Formula: C47.5 H58 Cl N4 O2 Rh
• Calculated formula: C44 H54 Cl N4 O2 Rh
• SMILES: [Rh]1(Cl)(OO1)([n]1ccccc1)([n]1ccccc1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C
• 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: 10.1915 ± 0.0009 Å
• b: 12.3169 ± 0.001 Å
• c: 18.8266 ± 0.0016 Å
• α: 76.311 ± 0.001°
• β: 82.845 ± 0.001°
• γ: 66.715 ± 0.001°
• Cell volume: 2107.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No