Information card for entry 7717180

Structure parameters

• Formula: C15 H16 N2 S
• Calculated formula: C15 H16 N2 S
• Title of publication: A chemically induced, room temperature, single source precursor to CuS (covellite) nanomaterials: synthesis and reactivity of [Cu(S₂CNHBz)]_<i>n</i>.
• Authors of publication: Huang, Siqiao; Xu, Xiang; Sarker, Jagodish C.; Pugh, David; Hogarth, Graeme
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 42
• Pages of publication: 17140 - 17145
• a: 10.8357 ± 0.001 Å
• b: 9.3683 ± 0.0007 Å
• c: 26.594 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2699.6 ± 0.4 ų
• Cell temperature: 295.6 ± 0.9 K
• Ambient diffraction temperature: 295.6 ± 0.9 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No