Information card for entry 4310610

Structure parameters

• Formula: C12 H14 Cu N4 O8 S
• Calculated formula: C12 H8 Cu N4 O8 S
• Title of publication: Preparation of Acentric Porous Coordination Frameworks from an Interpenetrated Diamondoid Array through Anion-Exchange Procedures: Crystal Structures and Properties
• Authors of publication: Miao Du; Ya-Mei Guo; Shen-Tan Chen; Xian-He Bu; Stuart R. Batten; Joan Ribas; Susumu Kitagawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1287 - 1293
• a: 5.5102 ± 0.0019 Å
• b: 10.576 ± 0.004 Å
• c: 28.344 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1651.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No