Information card for entry 7030578

Structure parameters

• Formula: C48.5 H81 N4 Ni6 O26
• Calculated formula: C48.5 H81 N4 Ni6 O26
• 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: 11.0545 ± 0.0006 Å
• b: 13.106 ± 0.0006 Å
• c: 22.7396 ± 0.0011 Å
• α: 81.176 ± 0.002°
• β: 77.741 ± 0.002°
• γ: 74.981 ± 0.002°
• Cell volume: 3092.5 ± 0.3 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 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: 0.1237
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7001006
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No