Information card for entry 7113814

Structure parameters

• Formula: C44 H28 Au Cl N4 O4
• Calculated formula: C44 H28 Au Cl N4 O4
• SMILES: [O-]Cl(=O)(=O)=O.[Au]123n4c5C(=c6ccc(C(=c7ccc(=C(c8ccccc8)c8ccc(=C(c4cc5)c4ccccc4)[n]28)n37)c2ccccc2)[n]16)c1ccccc1
• Title of publication: Gold(III) porphyrins as a new class of anticancer drugs: cytotoxicity, DNA binding and induction of apoptosis in human cervix epitheloid cancer cells
• Authors of publication: Che, Chi-Ming; Sun, Raymond Wai-Yin; Yu, Wing-Yiu; Ko, Chi-Bun; Zhu, Nianyong; Sun, Hongzhe
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 1718 - 1719
• a: 8.102 ± 0.0016 Å
• b: 20.964 ± 0.004 Å
• c: 20.06 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3407.2 ± 1.2 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103745
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No