Information card for entry 7004211

Structure parameters

• Formula: C50 H78 Cu N4 O8
• Calculated formula: C50 H78 Cu N4 O8
• SMILES: C1(=O)C(=O)O[Cu]23N(C(=O)C(=O)O3)c3c(cc4C(=O)c5ccccc5C(=O)c4c3)N12.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Transition metal induced derivatisations resulting in novel coordination behaviour of bis(oxamato) ligands
• Authors of publication: Rüffer, Tobias; Bräuer, Björn; Meva, François Eya'ane; Walfort, Bernhard
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 37
• Pages of publication: 5089 - 5098
• a: 20.0668 ± 0.0009 Å
• b: 17.5601 ± 0.0008 Å
• c: 14.2159 ± 0.0007 Å
• α: 90°
• β: 94.373 ± 0.001°
• γ: 90°
• Cell volume: 4994.7 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No