Information card for entry 7021764

Structure parameters

• Formula: C54 H54 B2 Cu F8 N12 O21
• Calculated formula: C54 H54 B2 Cu F8 N12 O21
• Title of publication: Direct anion effects on coordination polymerizations: construction and physicochemical properties of 1D, 2D, and 3D copper(ii) coordination polymers containing 1,3,5-tris(isonicotinoyloxyethyl)cyanurate.
• Authors of publication: Hong, Woosik; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 31
• Pages of publication: 11092 - 11099
• a: 8.758 ± 0.0001 Å
• b: 19.9716 ± 0.0003 Å
• c: 20.9905 ± 0.0003 Å
• α: 61.727 ± 0.001°
• β: 83.514 ± 0.001°
• γ: 77.575 ± 0.001°
• Cell volume: 3157.48 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1636
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No