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Information card for entry 7016094
Preview
Coordinates | 7016094.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H52 B2 Br4 Cl0 Cu6 N16 O S6 W2 |
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Calculated formula | C38 H50 B2 Br4 Cu6 N16 O 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 | 12.757 ± 0.003 Å |
b | 14.24 ± 0.003 Å |
c | 16.838 ± 0.003 Å |
α | 89.8 ± 0.03° |
β | 82.28 ± 0.03° |
γ | 82.73 ± 0.03° |
Cell volume | 3006.4 ± 1.1 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 10 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.18 |
Residual factor for significantly intense reflections | 0.1191 |
Weighted residual factors for significantly intense reflections | 0.2408 |
Weighted residual factors for all reflections included in the refinement | 0.2799 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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