Information card for entry 4341736

Structure parameters

• Formula: C14 H24 Cu N2 O7
• Calculated formula: C14 H24 Cu N2 O7
• SMILES: [Cu]123456[N]7(CC(=O)O2)CC[O]3CC[O]4CC[N]1(CC[O]5CC7)CC(=O)O6
• Title of publication: Reasons behind the Relative Abundances of Heptacoordinate Complexes along the Late First-Row Transition Metal Series
• Authors of publication: Regueiro-Figueroa, Martín; Lima, Luís M. P.; Blanco, Víctor; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Delgado, Rita; Platas-Iglesias, Carlos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2014
• Pages of publication: 141121114021002
• a: 7.1445 ± 0.0017 Å
• b: 12.036 ± 0.003 Å
• c: 9.538 ± 0.002 Å
• α: 90°
• β: 108.082 ± 0.003°
• γ: 90°
• Cell volume: 779.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No