Information card for entry 4349229

Structure parameters

• Formula: C6 H14 N5 O10
• Calculated formula: C6 H17 N5 O10
• SMILES: C1C[NH+]2CC[NH+]1CC2.N(=O)(=O)[O-].[OH3+].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Syntheses and Characterization of Chiral Zeolitic Silver Halides Based on 3-Rings.
• Authors of publication: Zhang, Ren-Chun; Wang, Jun-Jie; Yuan, Bai-Qing; Zhang, Jing-Chao; Zhou, Ling; Wang, Hai-Bin; Zhang, Dao-Jun; An, Yong-Lin
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11593 - 11599
• a: 10.0857 ± 0.0003 Å
• b: 10.0857 ± 0.0003 Å
• c: 7.2134 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 635.45 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No