Information card for entry 7232532

Structure parameters

• Formula: C24 H18 Cu N4 O P S5
• Calculated formula: C24 H18 Cu N4 O P S5
• Title of publication: Copper(i) complexes of functionalized sulfur-containing ligands: structural and theoretical insights into chalcogen bonding
• Authors of publication: Gholivand, Khodayar; Tizhoush, Samaneh K.; Kozakiewicz, Anna; Eskandari, Kiamars; Farshadfar, Kaveh
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 2675
• a: 9.796 ± 0.0015 Å
• b: 12.651 ± 0.003 Å
• c: 12.905 ± 0.002 Å
• α: 63.694 ± 0.019°
• β: 84.05 ± 0.014°
• γ: 71.894 ± 0.016°
• Cell volume: 1361.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1478
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2331
• Weighted residual factors for all reflections included in the refinement: 0.3017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No