Information card for entry 7000929

Structure parameters

• Formula: C30 H32 I3 N2 P S2
• Calculated formula: C30 H32 I3 N2 P S2
• Title of publication: Facile syntheses of thiophene-substituted 1,4-diazabutadiene (α-diimine) ligands and their conversion to phosphenium triiodide salts
• Authors of publication: Powell, Adam B.; Brown, Jaclyn R.; Vasudevan, Kalyan V.; Cowley, Alan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 14
• Pages of publication: 2521 - 2527
• a: 11.682 ± 0.002 Å
• b: 16.724 ± 0.003 Å
• c: 17.083 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3337.5 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No