Information card for entry 4084302

Structure parameters

• Formula: C20 H44 F12 N8 O2 P2 Pt
• Calculated formula: C20 H44 F12 N8 O2 P2 Pt
• SMILES: C1(=[Pt](=C2NCCN2)(=C2NCCN2)=C2NCCN2)NCCN1.C(C)OCC.[P](F)(F)(F)(F)(F)[F-].C(C)OCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Template Synthesis of Tetracarbene Platinum(II) Complexes with Five- and Six-Membered-Ring N-Heterocyclic Carbenes
• Authors of publication: Blase, Verena; Flores-Figueroa, Aarón; Schulte to Brinke, Christian; Hahn, F. Ekkehardt
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 17
• Pages of publication: 4471
• a: 7.9649 ± 0.0005 Å
• b: 21.5008 ± 0.0013 Å
• c: 9.9033 ± 0.0006 Å
• α: 90°
• β: 94.807 ± 0.001°
• γ: 90°
• Cell volume: 1689.99 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No