Information card for entry 1515461

Structure parameters

• Formula: C27 H31 F6 N4 P Pt
• Calculated formula: C27 H31 F6 N4 P Pt
• SMILES: c1cccc2c3cccc4c5cccc[n]5[Pt]([n]34)(=C3N(C=CN3CCCC)CCCC)c12.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells
• Authors of publication: Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 728
• a: 13.381 ± 0.003 Å
• b: 14.391 ± 0.003 Å
• c: 16.034 ± 0.003 Å
• α: 90°
• β: 111.16 ± 0.03°
• γ: 90°
• Cell volume: 2879.4 ± 1.2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 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: 0.0599
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 0.736
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No