Information card for entry 4084401

Structure parameters

• Formula: C31 H40 Br2 Cl2 N Ni P
• Calculated formula: C31 H40 Br2 Cl2 N Ni P
• Title of publication: Synthesis and Structures of Nickel Complexes with a PN-Chelate Phosphaalkene Ligand
• Authors of publication: Takeuchi, Katsuhiko; Minami, Ataru; Nakajima, Yumiko; Ozawa, Fumiyuki
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5365
• a: 10.067 ± 0.003 Å
• b: 15.738 ± 0.003 Å
• c: 21.28 ± 0.005 Å
• α: 90°
• β: 100.135 ± 0.004°
• γ: 90°
• Cell volume: 3318.9 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0986
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No