Information card for entry 4504895

Structure parameters

• Formula: C85 H71 B4 Cd2 F16 N17 O5
• Calculated formula: C85 H71 B4 Cd2 F16 N17 O5
• Title of publication: Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering
• Authors of publication: Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1181
• a: 13.0114 ± 0.0007 Å
• b: 17.3285 ± 0.0009 Å
• c: 18.8523 ± 0.001 Å
• α: 90°
• β: 102.816 ± 0.001°
• γ: 90°
• Cell volume: 4144.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No