Information card for entry 4304163

Structure parameters

• Chemical name: Tris[μ-5-methyltetrazolato-κN^2^:κN^3^] bis[(η^5^-pentamethylcyclopentadienyl)iridium(III)] Hexafluorophosphate Dihydrate
• Formula: C26 H43 F6 Ir2 N12 O2 P
• Calculated formula: C26 H39 F6 Ir2 N12 O2 P
• Title of publication: Structural Versatility of 5-Methyltetrazolato Complexes of (η5-Pentamethylcyclopentadienyl)iridium(III) Incorporating 2,2'-Bipyridine, N,N-Dimethyldithiocarbamate, or 2-Pyridinethiolate Ligands
• Authors of publication: Mai Kotera; Yusuke Sekioka; Takayoshi Suzuki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3498 - 3508
• a: 11.5401 ± 0.001 Å
• b: 11.7447 ± 0.0012 Å
• c: 14.9334 ± 0.0016 Å
• α: 87.023 ± 0.002°
• β: 67.242 ± 0.002°
• γ: 83.122 ± 0.003°
• Cell volume: 1853 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No