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Information card for entry 1515772
Preview
Coordinates | 1515772.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H40 B Ga2 I3 N8 S3 |
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Calculated formula | C25 H40 B Ga2 I3 N8 S3 |
SMILES | [Ga]12([Ga](I)(I)I)[S]=c3n([BH](n4c(=[S]1)n(cc4)C(C)(C)C)n1c(=[S]2)n(cc1)C(C)(C)C)ccn3C(C)(C)C.N#CC.C(#N)C |
Title of publication | Tris(2-mercapto-1-tert-butylimidazolyl)hydroborato gallium derivatives: synthesis of di- and trigallium compounds in a sulfur-rich coordination environment |
Authors of publication | Yurkerwich, Kevin; Buccella, Daniela; Melnick, Jonathan G.; Parkin, Gerard |
Journal of publication | Chemical Science |
Year of publication | 2010 |
Journal volume | 1 |
Journal issue | 2 |
Pages of publication | 210 |
a | 11.0854 ± 0.001 Å |
b | 11.1373 ± 0.001 Å |
c | 16.5062 ± 0.0014 Å |
α | 76.455 ± 0.001° |
β | 83.638 ± 0.001° |
γ | 80.982 ± 0.001° |
Cell volume | 1950.9 ± 0.3 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.036 |
Residual factor for significantly intense reflections | 0.0297 |
Weighted residual factors for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections included in the refinement | 0.0779 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1515772.html
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Users of the data should acknowledge the original authors of the
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