Information card for entry 7033181

Structure parameters

• Chemical name: Bis[iodo/hydroxo(carbonato)-bis-{1,1,1-tris(pyrid-2-yl)ethane}- dicopper(II)] triiodocuprate(I) tetrakis-dimethylformamide solvate hydrate (2/0.4)
• Formula: C82 H89.92 Cu5 I3.88 N16 O11.52
• Calculated formula: C82 H88 Cu5 I3.88 N16 O11.52
• Title of publication: Synthesis and coordination chemistry of 1,1,1-tris-(pyrid-2-yl)ethane.
• Authors of publication: Santoro, Amedeo; Sambiagio, Carlo; McGowan, Patrick C.; Halcrow, Malcolm A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1060 - 1069
• a: 38.0784 ± 0.001 Å
• b: 12.2951 ± 0.0003 Å
• c: 20.3333 ± 0.0005 Å
• α: 90°
• β: 116.027 ± 0.002°
• γ: 90°
• Cell volume: 8554.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No