Information card for entry 7033011

Structure parameters

• Formula: C22 H31 N4 O P S2
• Calculated formula: C22 H31 N4 O P S2
• SMILES: C1(=CN(C(=S)N1C)C(C)(C)C)P(=O)(C1=CN(C(=S)N1C)C(C)(C)C)c1ccccc1
• Title of publication: From bis(imidazole-2-thion-4-yl)phosphane to a flexible P-bridged bis(NHC) ligand and its silver complex.
• Authors of publication: Majhi, Paresh Kumar; Schnakenburg, Gregor; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 16673 - 16679
• a: 11.2305 ± 0.0009 Å
• b: 19.7226 ± 0.0017 Å
• c: 11.1563 ± 0.001 Å
• α: 90°
• β: 104.669 ± 0.003°
• γ: 90°
• Cell volume: 2390.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No