Information card for entry 7210206

Structure parameters

• Chemical name: Bis(2-amino-5-bromopyridinium) diaquatrichlorocuprate chloride
• Formula: C10 H16 Br2 Cl4 Cu N4 O2
• Calculated formula: C10 H15.8368 Br2 Cl4 Cu 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: 7.948 ± 0.002 Å
• b: 16.162 ± 0.005 Å
• c: 14.896 ± 0.004 Å
• α: 90°
• β: 95.18 ± 0.004°
• γ: 90°
• Cell volume: 1905.7 ± 0.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• 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: 0.0363
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No