Information card for entry 7212694

Structure parameters

• Formula: C23 H19 Br4 N5 O8 Zn
• Calculated formula: C23 H17 Br4 N5 O8 Zn
• 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: 11.398 ± 0.004 Å
• b: 12.337 ± 0.004 Å
• c: 12.667 ± 0.004 Å
• α: 65.774 ± 0.005°
• β: 75.569 ± 0.005°
• γ: 75.861 ± 0.004°
• Cell volume: 1552.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No