Information card for entry 7010053

Structure parameters

• Formula: C18 H12 Cd N2 O4
• Calculated formula: C18 H8 Cd N2 O4
• Title of publication: Hydrothermal synthesis and crystal structures of three-dimensional co-ordination frameworks constructed with mixed terephthalate (tp) and 4,4'-bipyridine (4,4'-bipy) ligands: [M(tp)(4,4'-bipy)] (M = CoII, CdII or ZnII)
• Authors of publication: Tao, Jun; Tong, Ming-Liang; Chen, Xiao-Ming
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3669
• a: 16.108 ± 0.003 Å
• b: 11.675 ± 0.002 Å
• c: 20.171 ± 0.004 Å
• α: 90°
• β: 111.99 ± 0.03°
• γ: 90°
• Cell volume: 3517.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No