Information card for entry 2012373

Structure parameters

• Chemical name: Dichloro[1,5-bis(1-methyl-1H-tetrazol-5-yl-N)-3-oxopentane-O]copper(II)
• Formula: C8 H14 Cl2 Cu N8 O
• Calculated formula: C8 H14 Cl2 Cu N8 O
• SMILES: [Cu]1(Cl)(Cl)[n]2nnn(c2CCOCCc2n(nn[n]12)C)C
• Title of publication: [1,5-Bis(1-methyl-1<i>H</i>-tetrazol-5-yl-κ<i>N</i>)-3-oxopentane-κ<i>O</i>]dichlorocopper(II)
• Authors of publication: Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Dmitry O.; Pytleva, Dariya S.; Ivashkevich, Ludmila S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1374 - 1375
• a: 8.566 ± 0.002 Å
• b: 13.611 ± 0.003 Å
• c: 12.633 ± 0.003 Å
• α: 90°
• β: 108.54 ± 0.02°
• γ: 90°
• Cell volume: 1396.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes