Information card for entry 2200566

Structure parameters

• Chemical name: trans-Dichloro-bis(triphenylphosphine)nickel(II) bis(dichloromethane) solvate
• Formula: C38 H34 Cl6 Ni P2
• Calculated formula: C38 H34 Cl6 Ni P2
• SMILES: [P]([Ni](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: <i>trans</i>-Dichlorobis(triphenylphosphine)nickel(II) bis(dichloromethane) solvate: redetermination at 120K
• Authors of publication: Batsanov, Andrei S.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: m308 - m309
• a: 22.97 ± 0.006 Å
• b: 20.005 ± 0.004 Å
• c: 8.048 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3698.2 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes