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Information card for entry 2019151
Preview
| Coordinates | 2019151.cif |
|---|---|
| Structure factors | 2019151.hkl |
| Original IUCr paper | HTML |
| Formula | C36 H47 B Cu N4 P |
|---|---|
| Calculated formula | C36 H47 B Cu N4 P |
| SMILES | [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2n(c(cc2C(C)C)C(C)C)[BH2]n2[n]1c(C(C)C)cc2C(C)C |
| Title of publication | [Bis(3,5-diisopropylpyrazol-1-yl-κ<i>N</i>^2^)dihydroborato](triphenylphosphane-κ<i>P</i>)copper(I) |
| Authors of publication | Fujisawa, Kiyoshi; Noguchi, Naoto; Noguchi, Yuki; Lehnert, Nicolai |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | 943 - 946 |
| a | 13.3372 ± 0.0005 Å |
| b | 14.3257 ± 0.0005 Å |
| c | 18.4712 ± 0.001 Å |
| α | 90° |
| β | 97.654 ± 0.0008° |
| γ | 90° |
| Cell volume | 3497.8 ± 0.3 Å3 |
| Cell temperature | 184 K |
| Ambient diffraction temperature | 184 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for all reflections included in the refinement | 0.0805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180860 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/91. |
2019151.cif 2019151.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019151.cif 2019151.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019151.cif 2019151.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019151.cif 2019151.hkl |
| 88738 | 2013-10-02 | cif/ Adding structures of 2019151 via cif-deposit CGI script. |
2019151.cif |
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Users of the data should acknowledge the original authors of the
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