Information card for entry 7243031

Structure parameters

• Formula: C11 H10 Cl Cu N2 S2
• Calculated formula: C11 H10 Cl Cu N2 S2
• Title of publication: Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane
• Authors of publication: Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 26
• Pages of publication: 4658 - 4666
• a: 3.8383 ± 0.0002 Å
• b: 22.1816 ± 0.0009 Å
• c: 14.0252 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1194.1 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No