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Information card for entry 1564104
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| Coordinates | 1564104.cif |
|---|---|
| Structure factors | 1564104.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II) |
|---|---|
| Formula | C32 H24 B N10 Ni O4 |
| Calculated formula | C32 H25 B N10 Ni O4 |
| Title of publication | Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II) |
| Authors of publication | Salerno, Elvin V.; Kadel, Lava R.; Eichhorn, David M. |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 7 |
| Pages of publication | x210690 |
| a | 16.627 ± 0.006 Å |
| b | 18.03 ± 0.007 Å |
| c | 21.293 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6383 ± 4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| 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 | 0.0868 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267459 (current) | 2021-07-10 | cif/ hkl/ Adding structures of 1564104 via cif-deposit CGI script. |
1564104.cif 1564104.hkl |
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