Information card for entry 4504224

Structure parameters

• Formula: C59 H82 B6 F24 N28 O5 Zn3
• Calculated formula: C59 H82 B6 F24 N28 O5 Zn3
• 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: 20.5797 ± 0.0012 Å
• b: 15.8645 ± 0.0009 Å
• c: 28.6555 ± 0.0017 Å
• α: 90°
• β: 96.286 ± 0.001°
• γ: 90°
• Cell volume: 9299.4 ± 0.9 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: 0.0797
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No