Information card for entry 7017583

Structure parameters

• Formula: C54 H50 Cu5 N8 O22
• Calculated formula: C54 H50 Cu5 N8 O22
• Title of publication: Two novel 3-D coordination polymers with 5-methoxyisophthalate and flexible N-donor co-ligands showing pentanuclear or alternate mono/binuclear Cu(ii) units.
• Authors of publication: Ma, Lu-Fang; Zhao, Jun-Wei; Han, Min-Le; Wang, Li-Ya; Du, Miao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2078 - 2083
• a: 14.807 ± 0.0012 Å
• b: 12.1079 ± 0.001 Å
• c: 17.1135 ± 0.0014 Å
• α: 90°
• β: 109.967 ± 0.001°
• γ: 90°
• Cell volume: 2883.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No