Information card for entry 4331152

Structure parameters

• Formula: C32.85 H29 Cl0.15 F2.55 N2 Ni O2.55 P2 S0.85
• Calculated formula: C32.85 H29 Cl0.15 F2.55 N2 Ni O2.55 P2 S0.85
• Title of publication: Nickel(II) Complexes Containing a Pyrrole-Diphosphine Pincer Ligand
• Authors of publication: Gopaladasu T. Venkanna; Teresa Virginia M. Ramos; Hadi D. Arman; Zachary J. Tonzetich
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12789 - 12795
• a: 9.3166 ± 0.0009 Å
• b: 23.499 ± 0.002 Å
• c: 15.0086 ± 0.0013 Å
• α: 90°
• β: 103.738 ± 0.007°
• γ: 90°
• Cell volume: 3191.8 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No