Information card for entry 7104075

Structure parameters

• Formula: C24 H61 Ag8 Br F6 O12.5 P7 Se12
• Calculated formula: C24 H60 Ag8 Br F6 O12.5 P7 Se12
• SMILES: CCOP1(OCC)=[Se]2[Ag]34[Br]56789%10[Ag]%11%12[Se]3=P(OCC)(OCC)[Se]3[Ag]29[Se]2[Ag]97[Se]1[Ag]16[Se]6[Ag]%10([Se]7=P(OCC)(OCC)[Se]%11[Ag]53[Se](=P2(OCC)OCC)[Ag]87[Se]9=P6(OCC)OCC)[Se]%12=P(OCC)(OCC)[Se]41.[P](F)(F)(F)(F)(F)[F-].O
• Title of publication: Ag8Cl2[Se2P(OEt)2]6: a rare example containing a combination of discrete clusters and chains
• Authors of publication: Liu, C.-W.; Hung, Chiu-Mine; Haia, Hsien-Chung; Liaw, Ben-Jie; Liou, Lin-Shu; Tsai, Yi-Fang; Wang, Ju-Chun
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 976 - 977
• a: 18.0461 ± 0.0013 Å
• b: 18.0461 ± 0.0013 Å
• c: 75.366 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21256 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No