Information card for entry 2006703

Structure parameters

• Formula: C59 H49 Cu3 Mo N O P3 S4
• Calculated formula: C59 H49 Cu3 Mo N O P3 S4
• SMILES: [Mo]12345([Cu]678([Cu]91([S]26)([S]4[Cu]5([S]37)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1c([S]89)cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)=O
• Title of publication: Oxo-1κ<i>O</i>-μ~3~-(pyridine-2-thiolato-2κ<i>N</i>,3:4κ^2^<i>S</i>)-tri-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>;2:3:4κ^3^<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>;4κ<i>P</i>-tricoppermolybdenum
• Authors of publication: Wang, Quanming; Wu, Xintao; Huang, Qun; Sheng, Tianlu; Lin, Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1542 - 1543
• a: 10.131 ± 0.003 Å
• b: 12.711 ± 0.005 Å
• c: 23.594 ± 0.007 Å
• α: 87.27 ± 0.03°
• β: 101.59 ± 0.03°
• γ: 109.05 ± 0.03°
• Cell volume: 2812.8 ± 1.7 ų
• Cell temperature: 293 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No