Information card for entry 7224573

Structure parameters

• Formula: C6 H34 Cu N4 O20 S4
• Calculated formula: C6 H34 Cu N4 O20 S4
• Title of publication: Synthesis, crystal structure and disorder‒order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2
• Authors of publication: Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 2719
• a: 8.044 ± 0.002 Å
• b: 9.357 ± 0.002 Å
• c: 9.822 ± 0.002 Å
• α: 111.23 ± 0.002°
• β: 107.301 ± 0.002°
• γ: 104.268 ± 0.002°
• Cell volume: 603.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No