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Information card for entry 7016093
Preview
Coordinates | 7016093.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C67 H88 B2 Br2 Cl2 Cu6 F12 N18 P2 S6 W2 |
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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 Å3 |
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 |
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