Information card for entry 2231619

Structure parameters

• Common name: 3,4,5-Trihydroxybenzohydrazidium perchlorate–3,4,5-trihydroxybenzohydrazide– water (1/1/1)
• Chemical name: (3,4,5-Trihydroxybenzamido)ammonium perchlorate–3,4,5-trihydroxybenzohydrazide–water (1/1/1)
• Formula: C14 H19 Cl N4 O13
• Calculated formula: C14 H19 Cl N4 O13
• SMILES: O=C(NN)c1cc(O)c(O)c(O)c1.O=C(N[NH3+])c1cc(O)c(O)c(O)c1.O.Cl(=O)(=O)(=O)[O-]
• Title of publication: 3,4,5-Trihydroxybenzohydrazidium perchlorate–3,4,5-trihydroxybenzohydrazide–water (1/1/1)
• Authors of publication: A. Alhadi, Abeer; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2229 - o2230
• a: 20.1213 ± 0.0007 Å
• b: 12.9178 ± 0.0004 Å
• c: 7.0122 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1822.63 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes