Information card for entry 2008880

Structure parameters

• Chemical name: 4-Hydroxy-1-oxo-2H-phthalazine-6,7-dicarboxylate bis-hydrazinium
• Formula: C10 H14 N6 O6
• Calculated formula: C10 H14 N6 O6
• SMILES: Oc1n[nH]c(=O)c2cc(c(cc12)C(=O)[O-])C(=O)[O-].N[NH3+].N[NH3+]
• Title of publication: Bis(hydrazinium) 4-hydroxy-1-oxo-2<i>H</i>-phthalazine-6,7-dicarboxylate
• Authors of publication: Benniston, Andrew C.; Yufit, D. S.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1535 - 1536
• a: 25.3 ± 0.005 Å
• b: 7.366 ± 0.002 Å
• c: 14.609 ± 0.003 Å
• α: 90°
• β: 113.62 ± 0.03°
• γ: 90°
• Cell volume: 2494.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No