Information card for entry 7030873

Structure parameters

• Formula: C10 H4 Ba N4 O4
• Calculated formula: C10 H4 Ba N4 O4
• Title of publication: Construction of acylhydrazidate-extended metal-organic frameworks.
• Authors of publication: Wang, Yan-Ning; Yang, Qing-Feng; Li, Guang-Hua; Zhang, Ping; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 30
• Pages of publication: 11646 - 11657
• a: 8.2417 ± 0.0016 Å
• b: 10.946 ± 0.002 Å
• c: 11.113 ± 0.002 Å
• α: 90°
• β: 93.86 ± 0.03°
• γ: 90°
• Cell volume: 1000.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0226
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No