Information card for entry 7210386

Structure parameters

• Formula: C40 H100 Ag12 I2 O20 P10 Se20
• Calculated formula: C40 H100 Ag12 I2 O20 P10 Se20
• SMILES: C(C)OP1(OCC)=[Se]2[Ag]34[I]567[Ag]82[Se]([Ag]29)P(OCC)(OCC)=[Se][Ag]5%10[Se]9=P(OCC)(OCC)[Se]5[Ag]6([Se]12)[Se]3=P(OCC)(OCC)[Se]1[Ag]7([Se]4P(=[Se]8)(OCC)OCC)[Se]2=P(OCC)(OCC)[Se]3[Ag]4[Se]6[Ag]78[I]9%11([Ag]%12%13[Se]8=P(OCC)(OCC)[Se]4[Ag]29[Se]%12=P(OCC)(OCC)[Se]%10[Ag]5%11[Se]%13P(OCC)(OCC)=[Se]7)[Ag]13[Se]=P6(OCC)OCC
• Title of publication: Dihalogen-templated synthesis of dodecanuclear silver dichalcogenophosphate clusters
• Authors of publication: Li, Bing; Liao, Jian-Hong; Li, Yi-Juan; Liu, C. W.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 31
• Pages of publication: 6140
• a: 12.927 ± 0.002 Å
• b: 13.628 ± 0.002 Å
• c: 16.945 ± 0.002 Å
• α: 99.812 ± 0.004°
• β: 102.43 ± 0.004°
• γ: 110.352 ± 0.004°
• Cell volume: 2633.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No