Information card for entry 7105173

Structure parameters

• Formula: C12 H14 Cd N4 O4
• Calculated formula: C12 H14 Cd N4 O4
• Title of publication: Metal-organic replica of chiral natural material beta-SnF(2): an enantiopure binodal (3,5)-connected net based on triangular and trigonal bipyramidal coordination.
• Authors of publication: Qin, Jie; Qin, Chao; Wang, Xin-Long; Wang, En-Bo; Su, Zhong-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 604 - 606
• a: 8.938 ± 0.005 Å
• b: 11.859 ± 0.005 Å
• c: 13.215 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1400.7 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0494
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No