Information card for entry 7212689

Structure parameters

• Formula: C34 H34 Br4 N8 Ni O13
• Calculated formula: C34 H28 Br4 N8 Ni O13
• 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: 7.9351 ± 0.0004 Å
• b: 11.3444 ± 0.0005 Å
• c: 12.949 ± 0.0006 Å
• α: 100.774 ± 0.001°
• β: 107.342 ± 0.001°
• γ: 101.24 ± 0.001°
• Cell volume: 1053.28 ± 0.09 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: 0.0453
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No