Information card for entry 7004215

Structure parameters

• Formula: C48 H76 Cu N10 O12
• Calculated formula: C48 H76 Cu N10 O12
• SMILES: C([N+](CCCC)(CCCC)CCCC)CCC.[Cu]12(Oc3c(nc4cc(c(cc4n3)N(=O)=O)N(=O)=O)O1)Oc1c(nc3c(cc(c(c3)N(=O)=O)N(=O)=O)n1)O2.C([N+](CCCC)(CCCC)CCCC)CCC
• 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: 9.5075 ± 0.0008 Å
• b: 12.4277 ± 0.0011 Å
• c: 12.7321 ± 0.0013 Å
• α: 63.886 ± 0.009°
• β: 88.994 ± 0.007°
• γ: 78.688 ± 0.007°
• Cell volume: 1320.5 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0425
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No