Information card for entry 4082165

Structure parameters

• Formula: C28 H36 B2 N2 P2
• Calculated formula: C28 H36 B2 N2 P2
• SMILES: [P@@+](CCCC[P@@+](Cc1ncccc1)(c1ccccc1)[BH3])(Cc1ncccc1)(c1ccccc1)[BH3].[P@+](CCCC[P@+](Cc1ncccc1)(c1ccccc1)[BH3])(Cc1ncccc1)(c1ccccc1)[BH3]
• 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: 9.344 ± 0.004 Å
• b: 12.029 ± 0.006 Å
• c: 13.43 ± 0.008 Å
• α: 84.066 ± 0.018°
• β: 89.81 ± 0.02°
• γ: 68.865 ± 0.015°
• Cell volume: 1399.5 ± 1.3 ų
• Cell temperature: 223.1 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No