Information card for entry 7230686

Structure parameters

• Formula: C20 H16 Cu N6 O8 S2
• Calculated formula: C20 H16 Cu N6 O8 S2
• Title of publication: Constructing two 1D coordination polymers and one mononuclear complex by pyrazine- and pyridinedicarboxylic acids under mild and sonochemical conditions: magnetic and CSD studies
• Authors of publication: Hassanpoor, Azam; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Majcher, Anna
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 26
• Pages of publication: 3711
• a: 6.4091 ± 0.0003 Å
• b: 8.0567 ± 0.0004 Å
• c: 11.3265 ± 0.0005 Å
• α: 70.675 ± 0.004°
• β: 85.308 ± 0.004°
• γ: 81.872 ± 0.004°
• Cell volume: 545.98 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0333
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No