Information card for entry 7039955

Structure parameters

• Formula: C10 H22 Cl2 Cu2 N12
• Calculated formula: C10 H22 Cl2 Cu2 N12
• SMILES: C1[NH]2CC[NH2][Cu]32(c2n(C1)nn[n]2[Cu]12(c4n(CC[NH]1CC[NH2]2)nn[n]34)Cl)Cl
• 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: 7.6276 ± 0.0001 Å
• b: 10.0143 ± 0.0001 Å
• c: 12.513 ± 0.0002 Å
• α: 90°
• β: 103.055 ± 0.0006°
• γ: 90°
• Cell volume: 931.1 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0216
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No