Information card for entry 7016514

Structure parameters

• Formula: C78 H98 Cl4 Cu4 F24 Mo4 N4 P6 S8
• Calculated formula: C78 H98 Cl4 Cu4 F24 Mo4 N4 P6 S8
• Title of publication: Assembly of bicyclic or monocyclic clusters from [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)(CuMeCN)(2)](2+) with tetraphosphine or N,P mixed ligands: syntheses, structures and enhanced third-order NLO performances.
• Authors of publication: Ren, Zhi-Gang; Sun, Sha; Dai, Min; Wang, Hui-Fang; Lü, Chun-Ning; Lang, Jian-Ping; Sun, Zhen-Rong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 33
• Pages of publication: 8391 - 8398
• a: 12.49 ± 0.003 Å
• b: 13.234 ± 0.003 Å
• c: 18.823 ± 0.004 Å
• α: 75.91 ± 0.03°
• β: 73.76 ± 0.03°
• γ: 71.05 ± 0.03°
• Cell volume: 2785.1 ± 1.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No