Information card for entry 4065224

Structure parameters

• Common name: [CS_(Me)H]I
• Formula: C18 H26 I2 N8 S2
• Calculated formula: C18 H26 I2 N8 S2
• Title of publication: New Mixed-Donor Bidentate Ligands Based on N-Heterocyclic Carbene and Thione Donors
• Authors of publication: Slivarichova, Miriam; Ahmad, Ruaa; Kuo, Yu-Ying; Nunn, Joshua; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4779
• a: 8.9773 ± 0.0003 Å
• b: 11.4529 ± 0.0004 Å
• c: 12.1648 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1250.74 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No