Information card for entry 4079858

Structure parameters

• Formula: C27 H23 F6 N4 P Pt
• Calculated formula: C27 H23 F6 N4 P Pt
• SMILES: C([Pt]12c3c(c4cccc[n]14)cccc3c1cccc[n]21)#[N]c1c(cccc1C)C.C(#N)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescent Pincer-Type Cyclometalated Platinum(II) Complexes with Auxiliary Isocyanide Ligands: Phase-Transfer Preparation, Solvatomorphism, and Self-Aggregation
• Authors of publication: Chen, Yong; Lu, Wei; Che, Chi-Ming
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 350
• a: 7.851 ± 0.001 Å
• b: 12.525 ± 0.002 Å
• c: 14.097 ± 0.003 Å
• α: 84.75 ± 0.02°
• β: 85.48 ± 0.02°
• γ: 78.32 ± 0.02°
• Cell volume: 1349.2 ± 0.4 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 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: 0.0401
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No