Information card for entry 4082170

Structure parameters

• Formula: C49 H63 Cl2 F12 N2 O0.5 P4 Rh2
• Calculated formula: C49 H58 Cl2 F12 N2 O0.5 P4 Rh2
• SMILES: [Rh]12345(Cl)([P@](CCC[P@]6([Rh]789%10(Cl)([n]%11c(C6)cccc%11)[c]6([c]7([c]8([c]9([c]%106C)C)C)C)C)c6ccccc6)(Cc6[n]1cccc6)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC
• 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: 9.818 ± 0.004 Å
• b: 17.63 ± 0.008 Å
• c: 17.634 ± 0.007 Å
• α: 85.98 ± 0.005°
• β: 78.846 ± 0.006°
• γ: 81.203 ± 0.004°
• Cell volume: 2957 ± 2 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: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No