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Information card for entry 2240503
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| Coordinates | 2240503.cif |
|---|---|
| Structure factors | 2240503.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bromidonitrosylbis(triphenylphosphane-κ<i>P</i>)nickel(II) |
|---|---|
| Formula | C36 H30 Br N Ni O P2 |
| Calculated formula | C36 H30 Br N Ni O P2 |
| SMILES | c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Ni](Br)(N=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of bromidonitrosylbis(triphenylphosphane-κ<i>P</i>)nickel(II) |
| Authors of publication | Hockley, Rose; Irshad, Hira; Sheriff, Tippu S.; Motevalli, Majid; Marinakis, Sarantos |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| Pages of publication | m87 - m88 |
| a | 9.5585 ± 0.0006 Å |
| b | 14.7675 ± 0.0007 Å |
| c | 22.6079 ± 0.0012 Å |
| α | 79.708 ± 0.004° |
| β | 85.771 ± 0.004° |
| γ | 89.944 ± 0.004° |
| Cell volume | 3131.1 ± 0.3 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 | 0.0666 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1176 |
| Weighted residual factors for all reflections included in the refinement | 0.1253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240503.cif 2240503.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240503.cif 2240503.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240503.cif 2240503.hkl |
| 134096 | 2015-03-19 | cif/ hkl/ Adding structures of 2240503 via cif-deposit CGI script. |
2240503.cif 2240503.hkl |
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Users of the data should acknowledge the original authors of the
structural data.