Information card for entry 7035147

Structure parameters

• Formula: C6 H16 Cl4 Cu N2 O0
• Calculated formula: C6 H16 Cl4 Cu N2
• SMILES: C1C([NH3+])CCC(C1)[NH3+].Cl[Cu](Cl)([Cl-])[Cl-]
• Title of publication: New organically templated thiocyanatocadmates and chlorocuprate(ii): synthesis and structural characterization.
• Authors of publication: Guo, Bing; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11470 - 11481
• a: 9.3655 ± 0.0006 Å
• b: 7.2877 ± 0.0005 Å
• c: 8.6164 ± 0.0007 Å
• α: 90°
• β: 92.869 ± 0.004°
• γ: 90°
• Cell volume: 587.36 ± 0.07 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No