Information card for entry 7016096

Structure parameters

• Formula: C25 H42 B Br2 Cu3 N19 O0.5 S3 W
• Calculated formula: C25 H42 B Br2 Cu3 N19 O0.5 S3 W
• 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: 17.683 ± 0.004 Å
• b: 22.969 ± 0.005 Å
• c: 25.06 ± 0.005 Å
• α: 90°
• β: 109.09 ± 0.03°
• γ: 90°
• Cell volume: 9619 ± 4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No