Information card for entry 7021765

Structure parameters

• Formula: C33 H40 Cl6 Cu N6 O19 S2
• Calculated formula: C33 H40 Cl6 Cu N6 O19 S2
• 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: 14.3708 ± 0.0002 Å
• b: 16.6625 ± 0.0002 Å
• c: 20.502 ± 0.0003 Å
• α: 90°
• β: 107.974 ± 0.001°
• γ: 90°
• Cell volume: 4669.69 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No