Information card for entry 8101797

Structure parameters

• Chemical name: hemi(1,4-diazabicyclo[2.2.2]octane)bis(2-thiopheneacetato)copper(II)
• Formula: C30 H32 Cu2 N2 O8 S4
• Calculated formula: C30 H32 Cu2 N2 O8 S4
• Title of publication: Crystal structure of catena-poly[(1,4-diazabicyclo[2.2.2]-octane)tetrakis (2-thiopheneacetato)dicopper(II)], Cu~2~(C~6~H~12~N~2~)(C~6~H~5~O~2~S)~4~
• Authors of publication: Zhou, Y.-L.; He, H.-Y.; Zhu, L.-G.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 381 - 382
• a: 9.7712 ± 0.0009 Å
• b: 10.7343 ± 0.0011 Å
• c: 15.4568 ± 0.0015 Å
• α: 90°
• β: 98.136 ± 0.002°
• γ: 90°
• Cell volume: 1604.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No