Information card for entry 7717181

Structure parameters

• Formula: C42 H36 Cu Fe N P2 S2
• Calculated formula: C42 H36 Cu Fe 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: 11.9613 ± 0.0004 Å
• b: 16.1413 ± 0.0005 Å
• c: 18.9872 ± 0.0006 Å
• α: 95.408 ± 0.003°
• β: 93.201 ± 0.003°
• γ: 92.636 ± 0.003°
• Cell volume: 3639 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No