Information card for entry 4070994

Structure parameters

• Common name: JMHV167
• Chemical name: JMHV167
• Formula: C36 H68 Cl2 Ir2 N2 P4
• Calculated formula: C36 H68 Cl2 Ir2 N2 P4
• SMILES: c12c(cccc1)N1N([Ir]2([P](CC)(CC)CC)([P](CC)(CC)CC)Cl)c2c(cccc2)[Ir]1([P](CC)(CC)CC)([P](CC)(CC)CC)Cl
• Title of publication: Reactivity of Low-Valent Iridium, Rhodium, and Platinum Complexes with Di- and Tetrasubstituted Hydrazines
• Authors of publication: Hoover, Jessica M.; Freudenthal, John; Michael, Forrest E.; Mayer, James M.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2238
• a: 12.1403 ± 0.0004 Å
• b: 13.0878 ± 0.0003 Å
• c: 16.6594 ± 0.0004 Å
• α: 90°
• β: 127.475 ± 0.0012°
• γ: 90°
• Cell volume: 2100.71 ± 0.1 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No