Information card for entry 1567063

Structure parameters

• Formula: C192 H242 Cl2 Cu18 P4 S12
• Calculated formula: C192 H242 Cl2 Cu18 P4 S12
• Title of publication: [Cu18H3(S-Adm)12(PPh3)4Cl2]: Fusion of Platonic and Johnson Solids Through Cu(0) Center and Its Photophysical Properties
• Authors of publication: Mandal, Sukhendu; Das, Anish Kumar; Biswas, Sourav; Wani, Vaibhav Shridhar; Nair, Akhil S.; Pathak, Biswarup
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 19.2184 ± 0.0002 Å
• b: 47.4362 ± 0.0006 Å
• c: 24.0097 ± 0.0003 Å
• α: 90°
• β: 100.521 ± 0.0012°
• γ: 90°
• Cell volume: 21520.4 ± 0.5 ų
• Cell temperature: 173 ± 0.02 K
• Ambient diffraction temperature: 173 ± 0.02 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No