Information card for entry 7033183

Structure parameters

• Chemical name: Bis[1,1,1-tris(pyrid-2-yl)ethane]copper(II) diiodide octa-hydrate
• Formula: C34 H46 Cu I2 N6 O8
• Calculated formula: C34 H46 Cu I2 N6 O8
• 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: 12.9173 ± 0.0008 Å
• b: 13.3786 ± 0.0011 Å
• c: 11.6292 ± 0.0007 Å
• α: 90°
• β: 103.06 ± 0.006°
• γ: 90°
• Cell volume: 1957.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No