Information card for entry 4350536

Structure parameters

• Formula: C9 H18 Cu3 I3 N6 S3
• Calculated formula: C9 H18 Cu3 I3 N6 S3
• 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: 9.6646 ± 0.0011 Å
• b: 10.552 ± 0.0013 Å
• c: 12.6177 ± 0.0015 Å
• α: 107.239 ± 0.002°
• β: 99.844 ± 0.002°
• γ: 113.682 ± 0.002°
• Cell volume: 1061.8 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0352
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No