Information card for entry 7010054

Structure parameters

• Formula: C18 H12 N2 O4 Zn
• Calculated formula: C18 H9 N2 O4 Zn
• 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: 9.187 ± 0.002 Å
• b: 10.276 ± 0.002 Å
• c: 10.976 ± 0.002 Å
• α: 67.89 ± 0.03°
• β: 68.19 ± 0.03°
• γ: 65.69 ± 0.03°
• Cell volume: 845.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No