Information card for entry 4346191

Structure parameters

• Formula: C20 H42 F6 Ir N2 P2 Sb
• Calculated formula: C20 H42 F6 Ir N2 P2 Sb
• 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.[Sb](F)(F)(F)(F)(F)[F-]
• 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: 7.7625 ± 0.0019 Å
• b: 28.319 ± 0.007 Å
• c: 12.879 ± 0.003 Å
• α: 90°
• β: 103.127 ± 0.003°
• γ: 90°
• Cell volume: 2757.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0205
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No