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Information card for entry 7705025
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Coordinates | 7705025.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | SCIF-2 |
---|---|
Formula | C47 H87 In10 N13 S17 |
Calculated formula | C47 H87 In10 N13 S17 |
Title of publication | Controllable incorporation of 1,2,4-triazolate into cluster-based metal-chalcogenide frameworks. |
Authors of publication | Liu, Xiaoshuang; Xue, Chaozhuang; Wang, Xiang; Zhang, Jiaxu; Wu, Tao |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 33 |
Pages of publication | 11489 - 11492 |
a | 20.887 ± 0.004 Å |
b | 22.592 ± 0.005 Å |
c | 33.244 ± 0.007 Å |
α | 90 ± 0.03° |
β | 90 ± 0.03° |
γ | 90 ± 0.03° |
Cell volume | 15687 ± 6 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0323 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0504 |
Weighted residual factors for all reflections included in the refinement | 0.0517 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
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/7705025.html
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structural data.