Information card for entry 4321575

Structure parameters

• Formula: C55 H67 Cl3 Mo3 N2 O9 P5 S9 Sn
• Calculated formula: C55 H67 Cl3 Mo3 N2 O9 P5 S9 Sn
• SMILES: [Sn]12(Cl)(Cl)(Cl)[S]3[Mo]45678([Mo]9%10%113([Mo]34([S]15)([S]29)(SP(=[S]3)(OCC)OCC)([O]7%11)[n]1ccccc1)(SP(=[S]%10)(OCC)OCC)[O]=C(O8)C)SP(=[S]6)(OCC)OCC.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.9529 ± 0.0001 Å
• b: 15.6324 ± 0.0002 Å
• c: 19.6355 ± 0.0001 Å
• α: 92.083 ± 0.001°
• β: 97.908 ± 0.001°
• γ: 110.337 ± 0.001°
• Cell volume: 3677.41 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No