Information card for entry 4326317

Structure parameters

• Common name: (iPrDPDBFphos)Ni(Cl)(C2H3)
• Formula: C38 H45 Cl Ni O P2
• Calculated formula: C38 H45 Cl Ni O P2
• SMILES: [Ni]1(C=C)([P](C(C)C)(C(C)C)c2cccc(c2)c2cccc3c2oc2c(cccc32)c2cccc([P]1(C(C)C)C(C)C)c2)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: 11.952 ± 0.003 Å
• b: 15.245 ± 0.003 Å
• c: 20.695 ± 0.005 Å
• α: 88.084 ± 0.003°
• β: 73.958 ± 0.002°
• γ: 89.567 ± 0.003°
• Cell volume: 3621.9 ± 1.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No