Information card for entry 7031118

Structure parameters

• Formula: C162 H132 B4 Ca2 F84 N24 O12
• Calculated formula: C162 H132 B4 Ca2 F84 N24 O12
• Title of publication: Highly fluorinated hydrotris(indazolyl)borate calcium complexes: the structure and reactivity heavily depend on the ligand's electronic properties.
• Authors of publication: Romero, Nuria; Vendier, Laure; Dinoi, Chiara; Etienne, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 26
• Pages of publication: 10114 - 10119
• a: 19.619 ± 0.0005 Å
• b: 19.619 ± 0.0005 Å
• c: 81.338 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27113 ± 1.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No