Information card for entry 7210205

Structure parameters

• Chemical name: Bis(5-amino-2-iodopyridinium) diaquotrichlorocuprate chloride
• Formula: C10 H16 Cl4 Cu I2 N4 O2
• Calculated formula: C10 H15.2604 Cl4 Cu I2 N4 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: 8.1232 ± 0.0003 Å
• b: 8.9577 ± 0.0004 Å
• c: 13.9151 ± 0.0007 Å
• α: 79.998 ± 0.002°
• β: 78.419 ± 0.001°
• γ: 85.351 ± 0.002°
• Cell volume: 975.73 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No