Information card for entry 4346189

Structure parameters

• Formula: C20 H42 Ir N2 P2
• Calculated formula: C20 H42 Ir N2 P2
• SMILES: [Ir]12([P](C=CN2C=C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)N
• Title of publication: Homolytic N-H activation of ammonia: hydrogen transfer of parent iridium ammine, amide, imide, and nitride species.
• Authors of publication: Scheibel, Markus G.; Abbenseth, Josh; Kinauer, Markus; Heinemann, Frank W.; Würtele, Christian; de Bruin, Bas; Schneider, Sven
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 9290 - 9302
• a: 8.4131 ± 0.0005 Å
• b: 11.6567 ± 0.0007 Å
• c: 13.0591 ± 0.0008 Å
• α: 79.327 ± 0.001°
• β: 89.559 ± 0.001°
• γ: 69.031 ± 0.001°
• Cell volume: 1172.79 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0183
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No