Information card for entry 4512112

Structure parameters

• Formula: C26 H30 Cu2 N8 O16
• Calculated formula: C26 H26 Cu2 N8 O16
• Title of publication: Pressure-Dependent Pseudo-Polymorphism of Polymeric {[Cu2(TBA)]·2H2O}nand Dinuclear [Cu2(TBA)(H2O)2]·2H2O Complexes Based on in Situ Tetramerization of DMBA
• Authors of publication: Li, Zhuo; Wang, Yu-Fang; Liu, Bin; Zheng, Tian-Yu; Zhang, Shi-Chao; Zhao, Jian-She
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 5640
• a: 16.8803 ± 0.0019 Å
• b: 9.7363 ± 0.0011 Å
• c: 18.993 ± 0.002 Å
• α: 90°
• β: 102.645 ± 0.002°
• γ: 90°
• Cell volume: 3045.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No