Information card for entry 7039956

Structure parameters

• Formula: C10 H22 Cl2 Cu2 N12
• Calculated formula: C10 H22 Cl2 Cu2 N12
• SMILES: c12n3CC[NH]4CC[NH2][Cu]14(Cl)[n]1c4n(CC[NH]5CC[NH2][Cu]45([n]2nn3)Cl)nn1
• 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: 7.6575 ± 0.0002 Å
• b: 10.0729 ± 0.0003 Å
• c: 12.618 ± 0.0003 Å
• α: 90°
• β: 103.134 ± 0.0014°
• γ: 90°
• Cell volume: 947.81 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No