Information card for entry 8102670

Structure parameters

• Chemical name: lex
• Formula: C14 H12 Cl2 Cu N8
• Calculated formula: C14 H12 Cl2 Cu N8
• SMILES: [Cu](Cl)(Cl)([n]1nnn(c1)c1ccccc1)[n]1nnn(c1)c1ccccc1
• Title of publication: Crystal structure of catena-poly[cis-bis(1-phenyltetrazole-kN4)-di(m-chloro)copper(II)], Cu(C7H6N4)2Cl2
• Authors of publication: Xiang-Yun Liu; Yan-Hua Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 293
• a: 7.387 ± 0.005 Å
• b: 11.544 ± 0.007 Å
• c: 12.517 ± 0.008 Å
• α: 98.017 ± 0.007°
• β: 106.88 ± 0.004°
• γ: 94.806 ± 0.006°
• Cell volume: 1002.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No