Information card for entry 2011308

Structure parameters

• Formula: C40 H38 Cl Ni O P2
• Calculated formula: C40 H38 Cl Ni O P2
• SMILES: [Ni](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Chlorobis(triphenylphosphine)nickel(I) tetrahydrofuran solvate and an unsolvated trigonal phase of chlorotris(triphenylphosphine)nickel(I)
• Authors of publication: Ellis, Dianne D.; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1067 - 1070
• a: 16.4393 ± 0.0016 Å
• b: 11.2773 ± 0.0012 Å
• c: 18.463 ± 0.002 Å
• α: 90°
• β: 90.14 ± 0.009°
• γ: 90°
• Cell volume: 3422.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes