Information card for entry 7030579

Structure parameters

• Formula: C126.5 H105 N12 Ni12 O34
• Calculated formula: C126.5 H91.5 N12 Ni12 O34
• Title of publication: Hexa-, hepta- and dodeca-nuclear nickel(II) complexes of three Schiff-base ligands derived from 1,4-diformyl-2,3-dihydroxybenzene
• Authors of publication: Feltham, Humphrey L. C.; Clérac, Rodolphe; Brooker, Sally
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 2965 - 2973
• a: 19.33 ± 0.003 Å
• b: 19.357 ± 0.003 Å
• c: 22.798 ± 0.003 Å
• α: 83.269 ± 0.005°
• β: 73.42 ± 0.005°
• γ: 66.534 ± 0.005°
• Cell volume: 7499.5 ± 1.9 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 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: 0.1712
• Residual factor for significantly intense reflections: 0.1268
• Weighted residual factors for significantly intense reflections: 0.2979
• Weighted residual factors for all reflections included in the refinement: 0.3206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7001007
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No