Information card for entry 1515462

Structure parameters

• Formula: C23 H23 I3 N4 Pt
• Calculated formula: C23 H23 I3 N4 Pt
• SMILES: [Pt]12([n]3c(c4[n]1c(c1c2cccc1)ccc4)cccc3)=C1N(C=CN1CC)CC.I[I-]I
• 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: 8.652 ± 0.002 Å
• b: 11.015 ± 0.002 Å
• c: 14.031 ± 0.003 Å
• α: 90.68 ± 0.03°
• β: 98.09 ± 0.03°
• γ: 90.57 ± 0.03°
• Cell volume: 1323.7 ± 0.5 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No