Information card for entry 7031117

Structure parameters

• Formula: C86 H50 B2 Ca F24 N12 O2
• Calculated formula: C86 H50 B2 Ca F24 N12 O2
• 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: 12.695 ± 0.0005 Å
• b: 18.016 ± 0.001 Å
• c: 17.448 ± 0.002 Å
• α: 90°
• β: 101.987 ± 0.006°
• γ: 90°
• Cell volume: 3903.6 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No