Information card for entry 4065209

Structure parameters

• Common name: Compound X
• Formula: C23 H18 F6 N7 P Pt
• Calculated formula: C23 H18 F6 N7 P Pt
• SMILES: [Pt]12(c3cccc4ccc5ccc[n]1c5c34)[n]1cccn1C(n1ccc[n]21)n1cccn1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescent Cycloplatinated Complexes Containing Poly(pyrazolyl)-borate and -methane Ligands
• Authors of publication: Berenguer, Jesús R.; Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5776
• a: 7.845 ± 0.0003 Å
• b: 9.947 ± 0.0004 Å
• c: 15.435 ± 0.0005 Å
• α: 77.109 ± 0.002°
• β: 78.729 ± 0.002°
• γ: 83.414 ± 0.002°
• Cell volume: 1148.27 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0195
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No