Information card for entry 4082168

Structure parameters

• Formula: C46 H56 B2 Cl2 F8 N2 P2 Rh2
• Calculated formula: C46 H56 B2 Cl2 F8 N2 P2 Rh2
• SMILES: [B](F)(F)(F)[F-].c12[n](cccc2)[Rh]2345([P@@](c6ccccc6)(CC[P@@]6(Cc7cccc[n]7[Rh]789%106([c]6([c]7([c]8([c]9([c]%106C)C)C)C)C)Cl)c6ccccc6)C1)([c]1([c]4([c]5([c]3([c]21C)C)C)C)C)Cl.[B](F)(F)(F)[F-]
• 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: 8.623 ± 0.003 Å
• b: 12.042 ± 0.006 Å
• c: 12.231 ± 0.005 Å
• α: 84.88 ± 0.03°
• β: 74.73 ± 0.02°
• γ: 75.65 ± 0.02°
• Cell volume: 1186.6 ± 0.9 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: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No