Information card for entry 1515463

Structure parameters

• Formula: C47 H46 F12 N8 P2 Pt2
• Calculated formula: C47 H46 F12 N8 P2 Pt2
• SMILES: [Pt]12(c3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)=C1N(C=CN1CN1C=CN(C1=[Pt]12c3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)CCCC)CCCC.[P](F)(F)(F)(F)(F)[F-].[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: 18.526 ± 0.004 Å
• b: 22.046 ± 0.004 Å
• c: 23.559 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9622 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No