Information card for entry 4518198

Structure parameters

• Formula: C20 H24 I N2 Rh
• Calculated formula: C20 H24 I N2 Rh
• SMILES: C12N(C=CN1c1ccccc1[Rh]1345=2([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)I)C
• Title of publication: β-(Z) Selectivity Control by Cyclometalated Rhodium(III)‒Triazolylidene Homogeneous and Heterogeneous Terminal Alkyne Hydrosilylation Catalysts
• Authors of publication: Sánchez-Page, Beatriz; Munarriz, Julen; Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Blasco, Javier; Subias, Gloria; Passarelli, Vincenzo; Álvarez, Patricia
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 22
• Pages of publication: 13334 - 13351
• a: 14.0181 ± 0.0011 Å
• b: 8.46 ± 0.0007 Å
• c: 16.4369 ± 0.0013 Å
• α: 90°
• β: 102.753 ± 0.001°
• γ: 90°
• Cell volume: 1901.2 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0522
• 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: No
• Has Fobs: No