Information card for entry 7212693

Structure parameters

• Formula: C21 H14 Br4 Cu N4 O7
• Calculated formula: C21 H14 Br4 Cu N4 O7
• Title of publication: Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole
• Authors of publication: Li, Cheng-Peng; Chen, Jing; Du, Miao
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4392
• a: 8.2722 ± 0.0004 Å
• b: 27.6453 ± 0.0011 Å
• c: 11.1959 ± 0.0005 Å
• α: 90°
• β: 93.561 ± 0.001°
• γ: 90°
• Cell volume: 2555.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No