Information card for entry 7042019

Structure parameters

• Formula: C31 H41 F12 N7 P2 Pd
• Calculated formula: C31 H41 F12 N7 P2 Pd
• SMILES: [Pd]1(=C2N(CCN2CN2C=1N(CC2)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Chelated bis(NHC) complexes of saturated (imidazolin-2-ylidene) NHC ligands: structural authentication and facile ligand fragmentation.
• Authors of publication: Gardiner, Michael G.; McGuinness, David S.; Vanston, Catriona R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 3051 - 3058
• a: 24.136 ± 0.002 Å
• b: 6.839 ± 0.001 Å
• c: 24.481 ± 0.003 Å
• α: 90°
• β: 113.25 ± 0.06°
• γ: 90°
• Cell volume: 3712.8 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.1173
• Weighted residual factors for significantly intense reflections: 0.3132
• Weighted residual factors for all reflections included in the refinement: 0.3158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No