Information card for entry 2005704

Structure parameters

• Formula: C7 H22 Cl2 N8 O2
• Calculated formula: C7 H22 Cl2 N8 O2
• SMILES: [Cl-].[Cl-].O.O.[NH2+]=C(N)N/N=C(/C(=N/NC(=[NH2+])N)/C)CC
• Title of publication: Ethylmethylglyoxal Bis(amidinohydrazonium) Dichloride‒Water (1/2)
• Authors of publication: Koskinen, J.; Koskinen, M.; Mutikainen, I.; Mannfors, B.; Elo, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3167 - 3169
• a: 14.945 ± 0.003 Å
• b: 11.416 ± 0.002 Å
• c: 9.674 ± 0.002 Å
• α: 90°
• β: 105.03 ± 0.03°
• γ: 90°
• Cell volume: 1594 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections: 0.2017
• Weighted residual factors for significantly intense reflections: 0.1666
• Goodness-of-fit parameter for all reflections: 0.944
• Goodness-of-fit parameter for significantly intense reflections: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No