Information card for entry 1519408

Structure parameters

• Formula: C25 H21 Cl N5 O4 Pt
• Calculated formula: C25 H22 Cl N5 O4 Pt
• SMILES: [Pt]12([n]3c(c4[n]1[nH]cc4)cccc3c1c2cccc1)C#[N]c1c(cccc1C)C.Cl(=O)(=O)(=O)[O-].N#CC
• Title of publication: Luminescent platinum(ii) complexes with self-assembly and anti-cancer properties: hydrogel, pH dependent emission color and sustained-release properties under physiological conditions
• Authors of publication: Tsai, Johnson Lui-Lui; Zou, Taotao; Liu, Jia; Chen, Tianfeng; Chan, Anna On-Yee; Yang, Chen; Lok, Chun-Nam; Che, Chi-Ming
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 3823
• a: 7.2307 ± 0.0003 Å
• b: 12.06 ± 0.0005 Å
• c: 14.471 ± 0.0006 Å
• α: 74.425 ± 0.0017°
• β: 82.9797 ± 0.0018°
• γ: 79.6363 ± 0.0018°
• Cell volume: 1192.09 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0428
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No