Information card for entry 4501216

Structure parameters

• Formula: C54 H116 Fe12 K5 N4 Na3 O118 Sb12
• Calculated formula: C48 Fe11.774 K5 Na3 O169.33 Sb12
• Title of publication: Microporous, Homochiral Structures Containing Iron Oxo-Clusters Supported by Antimony(III) Tartrate Scaffolds
• Authors of publication: Gao, Qiang; Wang, Xiqu; Conato, Marlon T.; Makarenko, Tatyana; Jacobson, Allan J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 4632
• a: 18.3733 ± 0.0005 Å
• b: 18.3733 ± 0.0005 Å
• c: 73.386 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21454.5 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.275
• Weighted residual factors for all reflections included in the refinement: 0.2839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No