Information card for entry 4341735

Structure parameters

• Formula: C14 H28 N2 Ni O9
• Calculated formula: C14 H28 N2 Ni O9
• SMILES: C1(=O)C[N]23CC[O]4[Ni]52(O1)[N](CC(=O)O5)(CC4)CCOCCOCC3.O.O
• 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: 7.088 ± 0.003 Å
• b: 7.088 ± 0.003 Å
• c: 34.725 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1744.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No