Information card for entry 2204550

Structure parameters

• Chemical name: (meso-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane- κ^4^N)nickel(II) [N,N-o-phenylenebis(oxamato)-κ^4^O,N,N',O']cuprate(II) dihydrate
• Formula: C26 H44 Cu N6 Ni O8
• Calculated formula: C26 H43 Cu N6 Ni O8
• Title of publication: (<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)nickel(II) [<i>N</i>,<i>N</i>-<i>o</i>-phenylenebis(oxamato)-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']cuprate(II) dihydrate
• Authors of publication: Gao, En-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1700 - m1702
• a: 10.0629 ± 0.0008 Å
• b: 12.402 ± 0.0008 Å
• c: 12.863 ± 0.0008 Å
• α: 92.241 ± 0.005°
• β: 110.245 ± 0.005°
• γ: 99.343 ± 0.007°
• Cell volume: 1478.26 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes