Information card for entry 7059356

Structure parameters

• Formula: C79 H124 Cu6 N12 O13 P6 S12
• Calculated formula: C79 H124 Cu6 N12 O13 P6 S12
• Title of publication: Synthesis of the first chiral polynuclear copper(i) complex based on (R)-1-(1-phenyl)ethyl-3-(O,O-diethylthiophosphoryl)thiourea and its characterization in the solid state and solution
• Authors of publication: Metlushka, Kirill E.; Sadkova, Dilyara N.; Nikitina, Kristina A.; Pashagin, Alexander V.; Khrizanforov, Mikhail N.; Budnikova, Yulia H.; Morozov, Vladimir I.; Islamov, Daut R.; Latypov, Shamil K.; Kataeva, Olga N.; Alfonsov, Vladimir A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3224 - 3231
• a: 17.9271 ± 0.0009 Å
• b: 13.5236 ± 0.0007 Å
• c: 22.1821 ± 0.0011 Å
• α: 90°
• β: 98.955 ± 0.001°
• γ: 90°
• Cell volume: 5312.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No