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Information card for entry 1556420
Preview
Coordinates | 1556420.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H40 B Cu N P S |
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Calculated formula | C23 H40 B Cu N P S |
SMILES | c1cccc2S[Cu]3([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)[H][BH]([n]12)[H]3 |
Title of publication | Adding to the Family of Copper Complexes Featuring Borohydride Ligands Based on 2-Mercaptopyridyl Units |
Authors of publication | Goldsworthy, J.; Thomas, S.D.; Tizzard, G.J.; Coles, S.J.; Owen, G.R. |
Journal of publication | Inorganics |
Year of publication | 2019 |
Journal volume | 7 |
Pages of publication | 93 |
a | 8.1672 ± 0.0001 Å |
b | 9.3837 ± 0.0001 Å |
c | 17.2612 ± 0.0002 Å |
α | 96.939 ± 0.001° |
β | 95.617 ± 0.001° |
γ | 112.373 ± 0.001° |
Cell volume | 1199.33 ± 0.03 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0239 |
Residual factor for significantly intense reflections | 0.0236 |
Weighted residual factors for significantly intense reflections | 0.0625 |
Weighted residual factors for all reflections included in the refinement | 0.0628 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
244887 (current) | 2019-12-03 | cif/ Adding structures of 1556420 via cif-deposit CGI script. |
1556420.cif |
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