Information card for entry 7120285

Structure parameters

• Chemical name: Ni(tmepe)2(BF4)2
• Formula: C28 H64 B2 F8 Ni O8 P4
• Calculated formula: C28 H64 B2 F8 Ni O8 P4
• Title of publication: CO2 reduction or HCO2− oxidation? Solvent-dependent thermochemistry of a nickel hydride complex
• Authors of publication: Ceballos, Bianca M.; Tsay, Charlene; Yang, Jenny Y.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 19.1558 ± 0.0019 Å
• b: 12.265 ± 0.0012 Å
• c: 19.162 ± 0.0019 Å
• α: 90°
• β: 110.651 ± 0.0011°
• γ: 90°
• Cell volume: 4212.8 ± 0.7 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No