Information card for entry 4504223

Structure parameters

• Formula: C34 H40 B3 F13 N17 O0.5 Zn2
• Calculated formula: C34 H39 B3 F13 N17 O0.5 Zn2
• Title of publication: Metallacyclic Zinc Complexes of Alkylidene-Linked Bitopic Bis(pyrazolyl)methane Ligands: Unusual Exocyclic Bridging Fluoride Ligands
• Authors of publication: Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 1163
• a: 16.3869 ± 0.0006 Å
• b: 12.7873 ± 0.0005 Å
• c: 43.2225 ± 0.0017 Å
• α: 90°
• β: 91.901 ± 0.001°
• γ: 90°
• Cell volume: 9052 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.07
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No