Information card for entry 4066782

Structure parameters

• Formula: C70 H52 F12 N8 O P2 Pt
• Calculated formula: C70 H52 F12 N8 O P2 Pt
• SMILES: [Pt]123=C4N5C(=C(c6ccccc6)N4CN4C=1N(C(=C4c1ccccc1)c1ccccc1)CCN1C=2N(C(=C1c1ccccc1)c1ccccc1)CN1C=3N(C(=C1c1ccccc1)c1ccccc1)CC5)c1ccccc1.CC(C)=O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 18-Atom-Ringed Macrocyclic Tetra-imidazoliums for Preparation of Monomeric Tetra-carbene Complexes
• Authors of publication: Bass, Heather M.; Cramer, S. Alan; Price, Julia L.; Jenkins, David M.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3235
• a: 30.804 ± 0.01 Å
• b: 8.803 ± 0.003 Å
• c: 26.918 ± 0.009 Å
• α: 90°
• β: 112.138 ± 0.004°
• γ: 90°
• Cell volume: 6761 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No