Information card for entry 7112880

Structure parameters

• Formula: C36 H38 Ag Cl2 F3 N4 O7 S3
• Calculated formula: C36 H38 Ag Cl2 F3 N4 O7 S3
• Title of publication: Gold(I) complex of N,N'-disubstituted cyclic thiourea with in vitro and in vivo anticancer properties-potent tight-binding inhibition of thioredoxin reductase.
• Authors of publication: Yan, Kun; Lok, Chun-Nam; Bierla, Katarzyna; Che, Chi-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 41
• Pages of publication: 7691 - 7693
• a: 12.0856 ± 0.0019 Å
• b: 13.665 ± 0.002 Å
• c: 14.212 ± 0.002 Å
• α: 72.566 ± 0.003°
• β: 83.781 ± 0.003°
• γ: 66.621 ± 0.003°
• Cell volume: 2055.3 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1345
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No