Information card for entry 7210905

Structure parameters

• Formula: C16 H15 Br N4 O5 Zn
• Calculated formula: C16 H11 Br N4 O5 Zn
• Title of publication: Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties
• Authors of publication: Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 41
• Pages of publication: 8353
• a: 8.4539 ± 0.0005 Å
• b: 16.364 ± 0.001 Å
• c: 13.255 ± 0.0008 Å
• α: 90°
• β: 92.011 ± 0.002°
• γ: 90°
• Cell volume: 1832.56 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0844
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No