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Information card for entry 8102095
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| Coordinates | 8102095.cif |
|---|
| Chemical name | trans-diethanol-bis(hexafluoroacetyl acetonato)nickel(II) 4,4,5,5-tetramethyl-2-(thiophenal-2-yl)imidazoline-1-oxyl-3-oxide) solvate |
|---|---|
| Formula | C25 H29 F12 N2 Ni O8 S |
| Calculated formula | C25 H29 F12 N2 Ni O8 S |
| Title of publication | Crystal structure of trans-diethanol-bis(hexafluoroacetylacetonato)- nickel(II) 4,4,5,5-tetramethyl-2-(thiophenal-2-yl)imidazoline-1-oxyl- 3-oxide solvate, Ni(C~2~H~5~OH)~2~[C~3~HO~2~(CF~3~)~2~]~2~ · C~7~H~15~N~2~O~2~S |
| Authors of publication | Wang, L.-Y.; Wang, X.-Q.; Jiang, K.; Ma, L.-F.; Wang, J.-G. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 2 |
| Pages of publication | 143 - 145 |
| a | 8.1047 ± 0.0004 Å |
| b | 23.9262 ± 0.0012 Å |
| c | 35.7168 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6926 ± 0.6 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0626 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.139 |
| Weighted residual factors for all reflections included in the refinement | 0.1535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102095.cif |
| 108257 | 2014-03-29 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102095.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102095.cif |
| 12834 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102095 via cif-deposit CGI script. |
8102095.cif |
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