Information card for entry 4082167

Structure parameters

• Formula: C51 H61 B2 Cl17 F8 Ir2 N2 P2
• Calculated formula: C51 H48.5 B2 Cl17 F8 Ir2 N2 P2
• Title of publication: Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2‒4)
• Authors of publication: Nakajima, Takayuki; Fukushima, Yuki; Tsuji, Minori; Hamada, Naoko; Kure, Bunsho; Tanase, Tomoaki
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7470
• a: 10.299 ± 0.004 Å
• b: 25.652 ± 0.01 Å
• c: 28.619 ± 0.012 Å
• α: 109.201 ± 0.008°
• β: 94.241 ± 0.008°
• γ: 90.45 ± 0.009°
• Cell volume: 7117 ± 5 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No