Information card for entry 2014970

Structure parameters

• Chemical name: catena-Poly[[[μ-1,4-bis(imidazol-1-ylmethyl)benzene- κ^2^N^3^:N^3'^]bis[dichlorocopper(II)]]-bis[μ-1,4-bis(imidazol-1- ylmethyl)benzene]-1:1'κ^2^N^3^:N^3'^;2:2'κ^2^N^3^:N^3'^]
• Formula: C21 H21 Cl2 Cu N6
• Calculated formula: C21 H22 Cl2 Cu N6
• SMILES: [Cu](Cl)(Cl)([n]1cn(cc1)Cc1ccc(cc1)Cn1cncc1)([n]1cn(cc1)Cc1ccc(cc1)Cn1c[n](cc1)[Cu](Cl)(Cl)([n]1cn(cc1)Cc1ccc(cc1)Cn1cncc1)[n]1cn(cc1)Cc1ccc(cc1)Cn1c[n](cc1)[Cu]1(Cl)Cl)[n]2cn(cc2)Cc2ccc(cc2)Cn2c[n](cc2)[Cu](Cl)(Cl)[n]2cn(cc2)Cc2ccc(cc2)Cn2c[n]1cc2
• Title of publication: <i>catena</i>-Poly[[[μ-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]bis[dichlorocopper(II)]]-bis[μ-1,4-bis(imidazol-1-ylmethyl)benzene]-1:1'κ^2^<i>N</i>^3^:<i>N</i>^3'^;2:2'κ^2^<i>N</i>^3^:<i>N</i>^3'^]
• Authors of publication: Tao Li; Sheng-Min Hu; Shao-Wu Du
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m409 - m411
• a: 9.752 ± 0.005 Å
• b: 9.894 ± 0.006 Å
• c: 11.685 ± 0.006 Å
• α: 105.963 ± 0.005°
• β: 99.76 ± 0.007°
• γ: 98.062 ± 0.003°
• Cell volume: 1047.3 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes