Information card for entry 4501214

Structure parameters

• Formula: C24 H53 Fe4 Na7 O58 Sb6
• Calculated formula: C24 H12 Fe4 Na7 O58 Sb6
• SMILES: [O]12[Sb]34[O]5[Sb]67[O]8[Fe]9%10%111[O]1[Sb]%12%13[O]%14[Sb]%15%16[O]%11[Fe]%11%178(OC(=O)[C@@H]([C@H](C(=O)O3)O4)O%11)O[C@H]([C@@H]3C(=O)O[Sb]%14([O]9[Fe]48([O]%10[Sb]95OC(=O)[C@@H]([C@@H]5C(=O)O[Fe]%1021(OC(=O)[C@@H]([C@H](C(=O)O%15)O%16)O%10)O5)O9)(OC(=O)[C@@H]([C@H](C(=O)O%12)O%13)O4)OC(=O)[C@@H]([C@H](C(=O)O6)O7)O8)O3)C(=O)O%17.[Na+].O.[Na+].O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.O.[Na+].[Na+].O.[Na+]
• 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: 16.8704 ± 0.0007 Å
• b: 21.2935 ± 0.0009 Å
• c: 9.5632 ± 0.0004 Å
• α: 90°
• β: 120.011 ± 0.001°
• γ: 90°
• Cell volume: 2974.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No