Information card for entry 4329341

Structure parameters

• Formula: C20 H24 Cd N6 O8
• Calculated formula: C20 H24 Cd N6 O8
• SMILES: C(=O)(c1ccc(cc1)n1c(C)[n](nc1)[Cd]([n]1c(C)n(c2ccc(C(=O)[O-])cc2)cn1)([OH2])([OH2])([OH2])[OH2])[O-]
• Title of publication: Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors
• Authors of publication: Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6180 - 6189
• a: 18.969 ± 0.002 Å
• b: 7.1796 ± 0.0005 Å
• c: 15.9877 ± 0.0017 Å
• α: 90°
• β: 93.636 ± 0.009°
• γ: 90°
• Cell volume: 2173 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No