Information card for entry 7210909

Structure parameters

• Formula: C15 H13 N7 O5 Zn
• Calculated formula: C15 H13 N7 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: 9.446 ± 0.002 Å
• b: 14.595 ± 0.004 Å
• c: 13.058 ± 0.003 Å
• α: 90°
• β: 99.624 ± 0.008°
• γ: 90°
• Cell volume: 1774.9 ± 0.7 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: 0.1824
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No