Information card for entry 4350537

Structure parameters

• Formula: C4 H6 Cu N3 S2
• Calculated formula: C4 H6 Cu N3 S2
• Title of publication: Synthesis of 1D {Cu6(mu3-SC3H6N2)4(mu-SC3H6N2)2(mu-I)2I4}n and 3D {Cu2(mu-SC3H6N2)2(mu-SCN)2}n polymers with 1,3-imidazolidine-2-thione: bond isomerism in polymers.
• Authors of publication: Lobana, Tarlok S.; Sharma, Renu; Hundal, Geeta; Butcher, R. J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9402 - 9409
• a: 7.864 ± 0.003 Å
• b: 14.328 ± 0.006 Å
• c: 6.737 ± 0.002 Å
• α: 90°
• β: 100.07 ± 0.03°
• γ: 90°
• Cell volume: 747.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No