Information card for entry 2208492

Structure parameters

• Chemical name: (<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetra- azacyclotetradecane)nickel(II) tetrachlorocuprate(II)
• Formula: C16 H36 Cl4 Cu N4 Ni
• Calculated formula: C16 H36 Cl4 Cu N4 Ni
• SMILES: C1[NH]2C(C[C@H](C)[NH]3CC[NH]4[Ni]23[NH](C1)[C@H](C)CC4(C)C)(C)C.[Cl-][Cu](Cl)(Cl)[Cl-]
• Title of publication: (<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) tetrachlorocuprate(II)
• Authors of publication: Wei, Zai-Shan; Yu, Guang-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m693 - m695
• a: 9.7331 ± 0.0014 Å
• b: 14.943 ± 0.002 Å
• c: 16.111 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2343.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes