Information card for entry 4342652

Structure parameters

• Formula: C9 H12 F6 N4 Ni0.5 P
• Calculated formula: C9 H12 F6 N4 Ni0.5 P
• Title of publication: Synthesis and Structural Studies of Nickel(0) Tetracarbene Complexes with the Introduction of a New Four-Coordinate Geometric Index, τδ.
• Authors of publication: Reineke, Mark H.; Sampson, Matthew D.; Rheingold, Arnold L.; Kubiak, Clifford P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3211 - 3217
• a: 7.507 ± 0.003 Å
• b: 9.79 ± 0.005 Å
• c: 10.442 ± 0.005 Å
• α: 63.75 ± 0.013°
• β: 71.023 ± 0.012°
• γ: 75.947 ± 0.013°
• Cell volume: 646.4 ± 0.5 ų
• Cell temperature: 296 ± 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: 0.0265
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No