Information card for entry 4511031

Structure parameters

• Formula: C18 H48 Fe2 N6 O20 S2
• Calculated formula: C18 H48 Fe2 N6 O20 S2
• Title of publication: D3-Symmetric Supramolecular Cation {(Me2NH2)6(SO4)}4+As a New Template for 3D Homochiral (10,3)-a Metal Oxalates
• Authors of publication: Li, Cui-Rui; Li, Shi-Li; Zhang, Xian-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 1702
• a: 15.5863 ± 0.0006 Å
• b: 15.5863 ± 0.0006 Å
• c: 15.5863 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3786.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 214
• Hermann-Mauguin space group symbol: I 41 3 2
• Hall space group symbol: I 4bd 2c 3
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No