Information card for entry 4322122

Structure parameters

• Formula: C54 H82 Mo6 N6 O20 P4 Pb2 S14
• Calculated formula: C54 H82 Mo6 N6 O20 P4 Pb2 S14
• SMILES: [Pb]1([S]2[Mo]34567([Mo]89%10([Mo]23(S8)([O]59)(O[Mo]23589([Mo]%11%12([Mo]2(S5)([S]%11[Pb]2(SP(=S)(OCC)OCC)[S]=P(S2)(OCC)OCC)(O8)(O%10)([O]=C(O%12)C)[n]2ccccc2)(S3)([O]=C(O9)C)[n]2ccccc2)[n]2ccccc2)([O]=C(O7)C)[n]2ccccc2)(S4)([O]=C(O6)C)[n]2ccccc2)[n]2ccccc2)(SP(=S)(OCC)OCC)[S]=P(S1)(OCC)OCC
• Title of publication: Synthesis and Structural Characterization of an Unusual Oxygen-Linked Double Cubane-Like Cluster {[Mo3PbOS3](OAc)2(py)3(dtp)2O}2
• Authors of publication: Rong-Min Yu; Shao-Fang Lu; Xiao-Ying Huang; Qiang-Jin Wu; Jian-Quan Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3313 - 3315
• a: 11.705 ± 0.008 Å
• b: 19.527 ± 0.008 Å
• c: 20.67 ± 0.009 Å
• α: 90°
• β: 98.14 ± 0.04°
• γ: 90°
• Cell volume: 4677 ± 4 ų
• Cell temperature: 293 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.0682
• Goodness-of-fit parameter for significantly intense reflections: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No