Information card for entry 4328716

Structure parameters

• Formula: C40 H40 Cu5 I5 N24
• Calculated formula: C40 H40 Cu5 I5 N24
• Title of publication: Structural Diversity in Coordination Self-Assembled Networks of a Multimodal Ligand Azacalix[4]pyrazine
• Authors of publication: Jin-Cheng Wu; Liang Zhao; De-Xian Wang; Mei-Xiang Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3860 - 3867
• a: 24.142 ± 0.002 Å
• b: 35.78 ± 0.007 Å
• c: 9.209 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7954.7 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No