Information card for entry 4337263

Structure parameters

• Formula: C102 H120 Ag8 Cl F6 O2 P7 S12
• Calculated formula: C102 H120 Ag8 Cl F6 O2 P7 S12
• SMILES: C(Cc1ccccc1)P1(CCc2ccccc2)=[S]2[Ag]34[S]5P(=[S]6[Ag]78[S]9[Ag]5[S]1[Ag]15[Cl]%10%1147[Ag]46[S]3=P(CCc3ccccc3)(CCc3ccccc3)[S]3[Ag]6[S]4=P(CCc4ccccc4)(CCc4ccccc4)[S]8[Ag]%10([S]6=P([S]1[Ag]2%113)(CCc1ccccc1)CCc1ccccc1)[S]5=P9(CCc1ccccc1)CCc1ccccc1)(CCc1ccccc1)CCc1ccccc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C
• Title of publication: A twelve-coordinated iodide in a cuboctahedral silver(i) skeleton.
• Authors of publication: Liao, Jian-Hong; Latouche, Camille; Li, Bing; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 2260 - 2267
• a: 14.0917 ± 0.0008 Å
• b: 14.7983 ± 0.0009 Å
• c: 15.6099 ± 0.0009 Å
• α: 65.548 ± 0.001°
• β: 84.308 ± 0.001°
• γ: 76.107 ± 0.001°
• Cell volume: 2876.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No