Information card for entry 4084945

Structure parameters

• Formula: C24 H37 Cl Ir P
• Calculated formula: C24 H37 Cl Ir P
• SMILES: [Ir]12345(Cl)([P](c6c(cccc6C)C5)(C(C)C)C(C)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes
• Authors of publication: Campos, Jesús; Carmona, Ernesto
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2212
• a: 7.9728 ± 0.0004 Å
• b: 10.9488 ± 0.0005 Å
• c: 14.27 ± 0.0008 Å
• α: 103.683 ± 0.002°
• β: 94.758 ± 0.002°
• γ: 100.316 ± 0.002°
• Cell volume: 1180.47 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No