Information card for entry 7210901

Structure parameters

• Formula: C18 H19 N5 O6 Zn
• Calculated formula: C18 H19 N5 O6 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: 9.4798 ± 0.0012 Å
• b: 10.1009 ± 0.0012 Å
• c: 11.1659 ± 0.0014 Å
• α: 96.353 ± 0.006°
• β: 111.398 ± 0.005°
• γ: 99.654 ± 0.005°
• Cell volume: 964 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No