Information card for entry 7009259

Structure parameters

• Formula: C20 H20 Cu2 I2 N2 S2
• Calculated formula: C20 H20 Cu2 I2 N2 S2
• Title of publication: The role of the metal connectors AgNO3, Cu2I2 and CuCl2 in co-ordination-polymer formation using the N2S2 ditopic ligand 1,4-bis(2-pyridylmethylsulfanylmethyl)benzene †
• Authors of publication: Hanton, Lyall R.; Lee, Kitty
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1161
• a: 10.282 ± 0.001 Å
• b: 9.793 ± 0.001 Å
• c: 12.188 ± 0.001 Å
• α: 90°
• β: 105.482 ± 0.002°
• γ: 90°
• Cell volume: 1182.7 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0428
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No