Information card for entry 2229578

Structure parameters

• Chemical name: [1,2-Bis(diisopropylphosphanyl)ethane- κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)‒9<i>H</i>-carbazole (1/2)
• Formula: C38 H50 Cl2 N2 Ni P2
• Calculated formula: C38 H50 Cl2 N2 Ni P2
• SMILES: c12ccccc1c1ccccc1[nH]2.[P]1(C(C)C)(C(C)C)CC[P](C(C)C)(C(C)C)[Ni]1(Cl)Cl.c12ccccc1c1ccccc1[nH]2
• Title of publication: [1,2-Bis(diisopropylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)‒9<i>H</i>-carbazole (1/2)
• Authors of publication: Cañavera-Buelvas, Farah; Flores-Alamo, Marcos; García, Juventino J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m501
• a: 22.583 ± 0.0005 Å
• b: 8.4374 ± 0.0002 Å
• c: 18.963 ± 0.0005 Å
• α: 90°
• β: 101.544 ± 0.002°
• γ: 90°
• Cell volume: 3540.15 ± 0.15 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes