Information card for entry 8104634

Structure parameters

• Formula: C46 H46 Cu4 I4 N10 O22
• Calculated formula: C46 H46 Cu4 I4 N10 O22
• Title of publication: Crystal structure of bis(µ2- 4-iodopyridine-2,6-dicarboxylato-κ3 O:N:O′)-bis(4-iodopyridine-2,6-dicarboxylato-κ3 O:N:O′)-bis(µ2-1-(4-pyridyl)piperazine-κ2 N:N′)-hexa-aqua-tetra-copper(II), C46H46Cu4I4N10O22
• Authors of publication: Lv, Benlian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 957 - 959
• a: 10.6637 ± 0.0002 Å
• b: 18.8249 ± 0.0006 Å
• c: 14.8626 ± 0.0005 Å
• α: 90°
• β: 93.853 ± 0.003°
• γ: 90°
• Cell volume: 2976.82 ± 0.15 ų
• Cell temperature: 291 ± 0.4 K
• Ambient diffraction temperature: 291 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No