Information card for entry 7039954

Structure parameters

• Formula: C5 H14 Cl2 N6
• Calculated formula: C5 H14 Cl2 N6
• SMILES: [Cl-].[Cl-].n1(nnnc1)CC[NH2+]CC[NH3+]
• Title of publication: The first organocopper tetrazole derivative: synthesis and characterization.
• Authors of publication: Voitekhovich, Sergei V.; Grigoriev, Yuri V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Ivashkevich, Oleg A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13406 - 13414
• a: 7.4185 ± 0.001 Å
• b: 7.9458 ± 0.001 Å
• c: 9.382 ± 0.0012 Å
• α: 74.7992 ± 0.0014°
• β: 79.8889 ± 0.0014°
• γ: 89.0669 ± 0.0015°
• Cell volume: 525.14 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No