Information card for entry 4321574

Structure parameters

• Formula: C27 H45 Cl3 Mo3 N3 O7 P3 S9 Sn
• Calculated formula: C27 H45 Cl3 Mo3 N3 O7 P3 S9 Sn
• SMILES: [Sn]12(Cl)(Cl)(Cl)[S]3[Mo]4567([Mo]89%103([Mo]34([S]15)([S]28)([S]=P(S3)(OCC)OCC)([O]7%10)[n]1ccccc1)([S]=P(S9)(OCC)OCC)[n]1ccccc1)([S]=P(S6)(OCC)OCC)[n]1ccccc1
• 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: 10.7423 ± 0.0002 Å
• b: 14.0357 ± 0.0001 Å
• c: 16.9346 ± 0.0002 Å
• α: 84.054 ± 0.001°
• β: 87.095 ± 0.001°
• γ: 84.517 ± 0.001°
• Cell volume: 2525.82 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.0932
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No