Information card for entry 4321576

Structure parameters

• Formula: C25 H51 Cl3 Mo3 N2 O9 P2 S7 Sn
• Calculated formula: C25 H51 Cl3 Mo3 N2 O9 P2 S7 Sn
• SMILES: [Sn]12(Cl)(Cl)(Cl)[S]3[Mo]45678([Mo]9%10%113([Mo]34([S]15)([S]29)([S]=P(S3)(OCC)OCC)([O]6%11)[O]=C(O8)C)([S]=P(S%10)(OCC)OCC)[O]=C(O7)C)[n]1ccccc1.[N+](CC)(CC)(CC)CC
• Title of publication: Synthesis and Characterization of Three Tetranuclear Clusters Containing a [Mo3OS3Sn]6+ Cubane-like Core
• Authors of publication: Rong-Min Yu; Shao-Fang Lu; Jian-Quan Huang; Xiao-Ying Huang; Qiang-Jin Wu; Da-Xu Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5348 - 5353
• a: 14.0852 ± 0.0005 Å
• b: 15.1324 ± 0.0005 Å
• c: 23.2691 ± 0.0007 Å
• α: 90°
• β: 97.371 ± 0.001°
• γ: 90°
• Cell volume: 4918.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections: 0.1362
• Weighted residual factors for significantly intense reflections: 0.1199
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No