Information card for entry 7700252

Structure parameters

• Formula: C42 H44 Cu2 N12 O22 S2
• Calculated formula: C42 H44 Cu2 N12 O22 S2
• Title of publication: A copper(ii)-coordination polymer based on a sulfonic-carboxylic ligand exhibits high water-facilitated proton conductivity.
• Authors of publication: Tayade, Sakharam B.; Lllathvalappil, Rajith; Lapalikar, Vaidehi; Markad, Datta; Kurungot, Sreekumar; Pujari, Bhalchandra; Kumbhar, Avinash S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 29
• Pages of publication: 11034 - 11044
• a: 9.731 ± 0.0008 Å
• b: 18.7611 ± 0.0016 Å
• c: 13.3099 ± 0.0011 Å
• α: 90°
• β: 99.441 ± 0.002°
• γ: 90°
• Cell volume: 2397 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No