Information card for entry 7224574

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: 10.649 ± 0.004 Å
• b: 10.677 ± 0.004 Å
• c: 10.799 ± 0.004 Å
• α: 94.771 ± 0.004°
• β: 100.757 ± 0.004°
• γ: 95.748 ± 0.004°
• Cell volume: 1193.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0276
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No