Information card for entry 7033108

Structure parameters

• Formula: C27 H37 Ca2 N5 O15 S2
• Calculated formula: C27 H37 Ca2 N5 O15 S2
• Title of publication: Assembly of three coordination polymers based on a sulfonic-carboxylic ligand showing high proton conductivity.
• Authors of publication: Zhao, Shu-Na; Song, Xue-Zhi; Zhu, Min; Meng, Xing; Wu, Lan-Lan; Song, Shu-Yan; Wang, Cheng; Zhang, Hong-Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 948 - 954
• a: 14.4784 ± 0.0015 Å
• b: 13.8157 ± 0.0015 Å
• c: 19.3044 ± 0.0019 Å
• α: 90°
• β: 104.539 ± 0.002°
• γ: 90°
• Cell volume: 3737.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No