Information card for entry 4337986

Structure parameters

• Formula: C65 H97 F N2 O19 P4 S3 Zn4
• Calculated formula: C65 H97 F N2 O19 P4 S3 Zn4
• Title of publication: Fluoride Ion Sensing and Caging by a Preformed Molecular D4R Zinc Phosphate Heterocubane.
• Authors of publication: Kalita, Alok Ch; Murugavel, Ramaswamy
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3345
• a: 15.0299 ± 0.0004 Å
• b: 21.7036 ± 0.0007 Å
• c: 24.4704 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7982.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No