Information card for entry 7210204

Structure parameters

• Chemical name: Bis(3-iodopyridinium) diaquatrichlorocuprate chloride
• Formula: C10 H14 Cl4 Cu I2 N2 O2
• Calculated formula: C10 H14 Cl4 Cu I2 N2 O2
• Title of publication: Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there
• Authors of publication: Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 21
• Pages of publication: 4309
• a: 4.1214 ± 0.0005 Å
• b: 16.791 ± 0.002 Å
• c: 13.5186 ± 0.0013 Å
• α: 90°
• β: 92.598 ± 0.01°
• γ: 90°
• Cell volume: 934.56 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No