Information card for entry 7059312

Structure parameters

• Formula: C17 H25 N5 O2 S2
• Calculated formula: C17 H25 N5 O2 S2
• Title of publication: Indium(iii) {2}-metallacryptates assembled from 2,6-dipicolinoyl-bis(N,N-diethylthiourea)
• Authors of publication: Pham, Chien Thang; Roca Jungfer, Maximilian; Abram, Ulrich
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 3672 - 3680
• a: 17.0884 ± 0.0015 Å
• b: 38.951 ± 0.004 Å
• c: 12.1957 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8117.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.1222
• Weighted residual factors for significantly intense reflections: 0.2454
• Weighted residual factors for all reflections included in the refinement: 0.2498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No