Information card for entry 7108600

Structure parameters

• Formula: C6 H8 N13.91 Zn
• Calculated formula: C6 H10 N13.9167 Zn
• Title of publication: Single-crystal X-ray diffraction and Raman spectroscopy studies of isobaric N2 adsorption in SOD-type metal-organic zeolites
• Authors of publication: Jie-Peng Zhang; Ai-Xin Zhu; Xiao-Ming Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11395
• a: 17.0659 ± 0.0012 Å
• b: 17.0659 ± 0.0012 Å
• c: 17.0659 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4970.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No