Information card for entry 7016093

Structure parameters

• Formula: C67 H88 B2 Br2 Cl2 Cu6 F12 N18 P2 S6 W2
• Calculated formula: C67 H88 B2 Br2 Cl2 Cu6 F12 N18 P2 S6 W2
• Title of publication: Four [Tp*W(μ(3)-S)(3)Cu(3)(μ(3)-Br)]-based clusters: synthesis, structural characterization and third-order NLO properties.
• Authors of publication: Lü, Xue; Chen, Xi; Ren, Zhi-Gang; Lang, Jian-Ping; Liu, Dong; Sun, Zhen-Rong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 31
• Pages of publication: 7983 - 7992
• a: 12.535 ± 0.003 Å
• b: 14.458 ± 0.003 Å
• c: 15.377 ± 0.003 Å
• α: 103.9 ± 0.03°
• β: 113.86 ± 0.03°
• γ: 103.33 ± 0.03°
• Cell volume: 2299.2 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 11
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No