Information card for entry 4505091

Structure parameters

• Chemical name: Hydroxylammonium Cyclohexane-3cis,5cis-dicarboxylic acid-1-carboxylate
• Formula: C9 H15 N O7
• Calculated formula: C9 H15 N O7
• SMILES: O=C([O-])C1CC(CC(C1)C(=O)O)C(=O)O.O[NH3+]
• Title of publication: Equivalence of NH4+, NH2NH3+, and OHNH3+in Directing the Noncentrosymmetric Diamondoid Network of O−H···O-Hydrogen Bonds in Dihydrogen Cyclohexane Tricarboxylate
• Authors of publication: Bhogala, Balakrishna R.; Vishweshwar, Peddy; Nangia, Ashwini
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1271
• a: 5.0737 ± 0.0014 Å
• b: 18.203 ± 0.005 Å
• c: 11.742 ± 0.003 Å
• α: 90°
• β: 93.275 ± 0.004°
• γ: 90°
• Cell volume: 1082.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No