Information card for entry 7001005

Structure parameters

• Formula: C69 H118 N8 Ni7 O41
• Calculated formula: C69 H118 N8 Ni7 O41
• 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: 27.5703 ± 0.0013 Å
• b: 15.6315 ± 0.0008 Å
• c: 23.8208 ± 0.0018 Å
• α: 90°
• β: 115.786 ± 0.002°
• γ: 90°
• Cell volume: 9243.7 ± 1 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No