Information card for entry 1508208

Structure parameters

• Formula: C20 H40 Ir N3 P2
• Calculated formula: C20 H40 Ir N3 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]#N
• Title of publication: Closed-shell and open-shell square-planar iridium nitrido complexes.
• Authors of publication: Scheibel, Markus G.; Askevold, Bjorn; Heinemann, Frank W.; Reijerse, Edward J.; de Bruin, Bas; Schneider, Sven
• Journal of publication: Nature chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 552 - 558
• a: 7.844 ± 0.0006 Å
• b: 26.903 ± 0.002 Å
• c: 11.8151 ± 0.0009 Å
• α: 90°
• β: 106.64 ± 0.002°
• γ: 90°
• Cell volume: 2388.9 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No