Information card for entry 4105702

Structure parameters

• Formula: C94 H58 B2 F48 Ni P2 S2
• Calculated formula: C94 H58 B2 F48 Ni P2 S2
• Title of publication: Plasticity of the Nickel(II) Coordination Environment in Complexes with Hemilabile Phosphino Thioether Ligands
• Authors of publication: Charles W. Machan; Alexander M. Spokoyny; Matthew R. Jones; Amy A. Sarjeant; Charlotte L. Stern; Chad A. Mirkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3023 - 3033
• a: 13.106 ± 0.0002 Å
• b: 13.9986 ± 0.0002 Å
• c: 14.1567 ± 0.0002 Å
• α: 97.644 ± 0.001°
• β: 112.096 ± 0.001°
• γ: 93.661 ± 0.001°
• Cell volume: 2366.71 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No