Information card for entry 7020174

Structure parameters

• Formula: C17 H14 Cu N3 S
• Calculated formula: C17 H14 Cu N3 S
• Title of publication: Unique in situ reduction of copper(II) forming an interesting photoluminescent stair-polymer of copper(I) with a Cu2S2 core.
• Authors of publication: Jana, Subrata; Bhowmik, Prasanta; Chattopadhyay, Shouvik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 34
• Pages of publication: 10145 - 10149
• a: 6.008 ± 0.0003 Å
• b: 10.1646 ± 0.0005 Å
• c: 12.7605 ± 0.0006 Å
• α: 91.827 ± 0.003°
• β: 102.254 ± 0.003°
• γ: 98.262 ± 0.003°
• Cell volume: 752.04 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No