Information card for entry 7011385

Structure parameters

• Formula: C36 H84 Ag6 O12 P6 Se12
• Calculated formula: C36 H84 Ag6 O12 P6 Se12
• SMILES: C(C)(C)OP1(OC(C)C)=[Se][Ag]23[Se]14[Ag]15[Se]3(P(OC(C)C)(OC(C)C)=[Se]1)[Ag]1[Se]=P(OC(C)C)(OC(C)C)[Se]5[Ag]35[Se]1(P(OC(C)C)(OC(C)C)=[Se]3)[Ag]13[Se]5(P(OC(C)C)(OC(C)C)=[Se]1)[Ag]4[Se]=P(OC(C)C)(OC(C)C)[Se]23
• Title of publication: Novel silver diselenophosphate clusters: structures of Ag10(µ10-Se)[Se2P(OEt)2]8 and {Ag[Se2P(OPri)2]}6Metal dialkyl diselenophosphates. Part 5. For preceding paper see ref. 1.
• Authors of publication: Liu, C. W.; Shang, Iu-Jie; Hung, Chiu-Mine; Wang, Ju-Chung; Keng, Tai-Chiun
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 1974
• a: 11.866 ± 0.002 Å
• b: 12.484 ± 0.002 Å
• c: 14.572 ± 0.003 Å
• α: 109.5 ± 0.03°
• β: 104.69 ± 0.03°
• γ: 100.48 ± 0.03°
• Cell volume: 1882.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No