Information card for entry 2020895

Structure parameters

• Chemical name: 1,2-Bis(diaminomethylidene)hydrazine-1,2-diium tetrachloridocuprate(II)
• Formula: C2 H10 Cl4 Cu N6
• Calculated formula: C2 H10 Cl4 Cu N6
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].[NH2+]=C(N)NNC(=[NH2+])N
• Title of publication: Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization
• Authors of publication: Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 8.4242 ± 0.0001 Å
• b: 10.0515 ± 0.0002 Å
• c: 13.1557 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1113.97 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes