Information card for entry 4326315

Structure parameters

• Common name: complex3
• Formula: C36 H42 Cl2 Ni O P2
• Calculated formula: C36 H42 Cl2 Ni O P2
• SMILES: [Ni]1([P](C(C)C)(C(C)C)c2cccc(c2)c2cccc3c2oc2c3cccc2c2cccc([P]1(C(C)C)C(C)C)c2)(Cl)Cl
• Title of publication: First-Row Transition-Metal Chloride Complexes of the Wide Bite-Angle DiphosphineiPrDPDBFphos and Reactivity Studies of Monovalent Nickel
• Authors of publication: Elodie E. Marlier; Stephen J. Tereniak; Keying Ding; Jenna E. Mulliken; Connie C. Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9290 - 9299
• a: 19.181 ± 0.003 Å
• b: 9.0591 ± 0.0013 Å
• c: 21.04 ± 0.003 Å
• α: 90°
• β: 115.196 ± 0.002°
• γ: 90°
• Cell volume: 3308.1 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No