Information card for entry 4336985

Structure parameters

• Formula: C28 H40 F24 K2 Ni O12
• Calculated formula: C28 H40 F24 K2 Ni O12
• SMILES: [Ni]123[O]4C(C(F)(F)F)(C(F)(F)F)C([O]1[K]15([O](C)CC[O]1C)([O](C)CC[O]5C)[O]2C(C(F)(F)F)(C(F)(F)F)C([O]3[K]124([O](C)CC[O]1C)[O](C)CC[O]2C)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
• Title of publication: Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes
• Authors of publication: Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 14050 - 14063
• a: 10.9133 ± 0.0006 Å
• b: 18.093 ± 0.0009 Å
• c: 11.7857 ± 0.0007 Å
• α: 90°
• β: 96.89 ± 0.002°
• γ: 90°
• Cell volume: 2310.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.032
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No