Information card for entry 7039958

Structure parameters

• Formula: C10 H24 Cl2 Cu N12
• Calculated formula: C10 H24 Cl2 Cu N12
• SMILES: [Cu]12(Cl)(Cl)([NH](CCn3nnnc3)CC[NH2]1)[NH](CCn1nnnc1)CC[NH2]2
• 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: 23.4624 ± 0.0004 Å
• b: 10.4593 ± 0.0002 Å
• c: 15.5341 ± 0.0002 Å
• α: 90°
• β: 105.381 ± 0.0007°
• γ: 90°
• Cell volume: 3675.53 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No