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Information card for entry 8102160
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| Coordinates | 8102160.cif |
|---|
| Chemical name | catena-(tetraaqua-hexakis(N-p-tolylsulfonylglycinato)dineodymium) dihydrate methanol hemisolvate |
|---|---|
| Formula | C54.5 H74 N6 Nd2 O30.5 S6 |
| Calculated formula | C54.5 H73 N6 Nd2 O30.5 S6 |
| Title of publication | Crystal structure of catena-(tetraaqua-hexakis(N-p-tolylsulfonylglycinato) dineodymium) dihydrate methanol hemisolvate, Nd~2~(H~2~O)~4~(C~9~H~10~NO~4~S) ~6~ · 2H~2~O · 0.5CH~3~OH |
| Authors of publication | Chen, Man-Sheng; Kuang, Dai-Zhi; Zhang, Chun-Hua; Deng, Yi-Fang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 303 - 306 |
| a | 12.927 ± 0.001 Å |
| b | 16.841 ± 0.002 Å |
| c | 17.478 ± 0.002 Å |
| α | 83.93 ± 0.008° |
| β | 76.23 ± 0.01° |
| γ | 74.52 ± 0.01° |
| Cell volume | 3558 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0352 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0653 |
| Weighted residual factors for all reflections included in the refinement | 0.0671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102160.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102160.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102160.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102160.cif |
| 12899 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102160 via cif-deposit CGI script. |
8102160.cif |
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