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Information card for entry 1515781
Preview
Coordinates | 1515781.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H86 B2 Ga2 I2 N18 S6 |
---|---|
Calculated formula | C42 H68 B2 Ga2 I2 N12 S6 |
SMILES | [I-].[I-].[Ga]12([Ga]34[S]=C5N(C=CN5C(C)(C)C)[BH](N5C(=[S]3)N(C=C5)C(C)(C)C)N3C(=[S]4)N(C=C3)C(C)(C)C)[S]=C3N(C=CN3C(C)(C)C)[BH](N3C(=[S]1)N(C=C3)C(C)(C)C)N1C(=[S]2)N(C=C1)C(C)(C)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 | 11.4967 ± 0.0017 Å |
b | 11.4967 ± 0.0017 Å |
c | 16.993 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1945.1 ± 0.7 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 7 |
Space group number | 147 |
Hermann-Mauguin space group symbol | P -3 |
Hall space group symbol | -P 3 |
Residual factor for all reflections | 0.0747 |
Residual factor for significantly intense reflections | 0.0653 |
Weighted residual factors for significantly intense reflections | 0.1748 |
Weighted residual factors for all reflections included in the refinement | 0.1792 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
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/1515781.html
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Users of the data should acknowledge the original authors of the
structural data.