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Information card for entry 1519597
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Coordinates | 1519597.cif |
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Formula | C40 H54 B2 Sn |
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Calculated formula | C40 H54 B2 Sn |
SMILES | C[Sn](C)(CB(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)CB(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C |
Title of publication | C40H54B2Sn |
Authors of publication | Pelter, Andy; Coles, Simon J.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2004 |
Pages of publication | 893 |
a | 8.5152 ± 0.0009 Å |
b | 9.6458 ± 0.0003 Å |
c | 21.897 ± 0.005 Å |
α | 86.955 ± 0.006° |
β | 85.97 ± 0.02° |
γ | 84.691 ± 0.006° |
Cell volume | 1784.4 ± 0.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1354 |
Residual factor for significantly intense reflections | 0.128 |
Weighted residual factors for significantly intense reflections | 0.3258 |
Weighted residual factors for all reflections included in the refinement | 0.3308 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.224 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1519597.html
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