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Information card for entry 7208000
Preview
Coordinates | 7208000.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H54 B2 Cu6 N16 O S10 W2 |
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Calculated formula | C38 H54 B2 Cu6 N16 O S10 W2 |
Title of publication | Assembly of two cluster-based coordination polymers with good NLO performance from one NLO-inactive precursor cluster [Et4N][Tp*W(μ3‒S)3(CuCl)3] |
Authors of publication | Chen, Xi; Li, Hong-Xi; Zhang, Zhi-Yuan; Xu, Cheng; Hou, Kai-Peng; Zhou, Li-Kuan; Lang, Jian-Ping; Sun, Zhen-Rong |
Journal of publication | CrystEngComm |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 11 |
Pages of publication | 4027 |
a | 10.603 ± 0.002 Å |
b | 12.39 ± 0.003 Å |
c | 12.774 ± 0.003 Å |
α | 80.25 ± 0.03° |
β | 70.91 ± 0.03° |
γ | 67.35 ± 0.03° |
Cell volume | 1461.7 ± 0.7 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0445 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.089 |
Weighted residual factors for all reflections included in the refinement | 0.097 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.629 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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