Information card for entry 4329716

Structure parameters

• Formula: C36 H84 Ag11 F6 I4 O12 P7 S12
• Calculated formula: C36 H84 Ag11 F6 I4 O12 P7 S12
• SMILES: C(C)(C)OP1(OC(C)C)=[S]2[Ag]34[I]56789%10%11[Ag]%12%13[I]3[Ag]3%11[S]%11=P(OC(C)C)(OC(C)C)[S]%14[Ag]([S]13)[S]1=P(OC(C)C)(OC(C)C)[S]3[Ag]%15%10[I]([Ag]251)[Ag]17[S]2[Ag]([S]%12=P(OC(C)C)(OC(C)C)[S]41)[S]1[Ag]8([S]%15=P2(OC(C)C)OC(C)C)[I]([Ag]63%14)[Ag]9%11[S]%13=P1(OC(C)C)OC(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A μ9-Iodide in a Tricapped Trigonal-Prismatic Geometry
• Authors of publication: Yi-Juan Li; Camille Latouche; Samia Kahlal; Jian-Hong Liao; Rajendra Singh Dhayal; Jean-Yves Saillard; C. W. Liu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7439 - 7441
• a: 13.2137 ± 0.0008 Å
• b: 20.9757 ± 0.0011 Å
• c: 33.2416 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9213.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No