Information card for entry 7717179

Structure parameters

• Formula: C44 H38 Cu N P2 S2
• Calculated formula: C44 H38 Cu N P2 S2
• Title of publication: A chemically-induced, room temperature, single source precursor to CuS (covellite) nanomaterials: Synthesis and reactivity of [Cu(S2CNHBz)]n
• Authors of publication: Huang, Siqiao; Xu, Xiang; Sarker, Jagodish C.; Pugh, David; Hogarth, Graeme
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 38.4141 ± 0.0011 Å
• b: 15.0917 ± 0.0004 Å
• c: 44.0156 ± 0.0012 Å
• α: 90°
• β: 116.023 ± 0.003°
• γ: 90°
• Cell volume: 22930.3 ± 1.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No