Information card for entry 7007494

Structure parameters

• Formula: C36 H38 N4 Ni11 O9
• Calculated formula: C36 H38 N4 Ni2 O9
• SMILES: [Ni]12345[OH]c6c(C=[N]2CC[N]23CC[N]37[Ni]8([N](=Cc9c(O8)cccc9)CC3)([O]1c1c(C27)cccc1)([OH2])[O]4C(=O)c1ccccc1C(=O)O5)cccc6.OC
• Title of publication: Dinuclear nickel complexes with a Ni(2)O(2) core: a structural and magnetic study.
• Authors of publication: Fondo, Matilde; García-Deibe, Ana M; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Llamas-Saiz, Antonio L
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 35
• Pages of publication: 4260 - 4270
• a: 15.899 ± 0.002 Å
• b: 11.4993 ± 0.0017 Å
• c: 19.048 ± 0.003 Å
• α: 90°
• β: 108.36 ± 0.01°
• γ: 90°
• Cell volume: 3305.2 ± 0.8 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No