Information card for entry 2235357

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(5,5,7,12,12,14-hexamethyl-1,4,8,11- tetraazacycylotetradeca-1,7-diene)copper(II)]-μ-chlorido- [dichlorocuprate(II)]-μ-chlorido]
• Formula: C16 H32 Cl4 Cu2 N4
• Calculated formula: C16 H32 Cl4 Cu2 N4
• SMILES: C1C[N]2=C(CC(C)(C)[NH]3CC[N]4=C(CC(C)(C)[NH]1[Cu]234)C)C.[Cl-][Cu](Cl)(Cl)[Cl-]
• Title of publication: <i>catena</i>-Poly[[(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,7-diene)copper(II)]-μ-chlorido-[dichlorocuprate(II)]-μ-chlorido]
• Authors of publication: Yamin, Bohari M.; Ismail, Wafiuddin; Daran, Jean-Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m886 - m887
• a: 9.66 ± 0.003 Å
• b: 15.039 ± 0.004 Å
• c: 16.16 ± 0.005 Å
• α: 90°
• β: 102.424 ± 0.007°
• γ: 90°
• Cell volume: 2292.7 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes