Information card for entry 2107636

Structure parameters

• Formula: C6 H15 As2 N3 O10
• Calculated formula: C6 H15 As2 N3 O10
• SMILES: O[As](O)(=O)O.[O-][As](=O)(O)O.c1c([nH]c[nH+]1)C[C@H](N)C(=O)O
• Title of publication: Growth, morphology, structure and characterization of <small>L</small>-histidinium dihydrogen arsenate orthoarsenic acid single crystal
• Authors of publication: Tyagi, Nidhi; Sinha, Nidhi; Yadav, Harsh; Kumar, Binay
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 593 - 601
• a: 9.2196 ± 0.0006 Å
• b: 8.9077 ± 0.0006 Å
• c: 8.83 ± 0.0006 Å
• α: 90°
• β: 108.69 ± 0.007°
• γ: 90°
• Cell volume: 686.93 ± 0.08 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes