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Information card for entry 8102466
Preview
| Coordinates | 8102466.cif |
|---|---|
| External links | PubChem |
| Chemical name | bi-(2,2-bipyridine)-hexa(N-tosyl-glycinato)- bisamarium (III)- diaqua.2,2-bipyridine [Sm~2~(C~12~H~8~N~2~)~2~(C~9~H~10~NO~4~S)~6~.H~2~O].(C~12~H~8~N~2~) |
|---|---|
| Formula | C42 H44 N6 O13 S3 Sm |
| Calculated formula | C42 H44 N6 O13 S3 Sm |
| Title of publication | Crystal structure of diaqua-bis(2,2'-bipyridine)-hexa(N-tosylglycinato)disamarium(III) — 2,2'-bipyridine (1:1), Sm2(H2O)2(C10H8N2)2(C9H10NO4S)6 · C10H8N2 |
| Authors of publication | Gui-Lin Wen; Xia Bao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 3 |
| Pages of publication | 478 |
| a | 14.147 ± 0.005 Å |
| b | 29.232 ± 0.011 Å |
| c | 12.716 ± 0.005 Å |
| α | 90° |
| β | 115.283 ± 0.006° |
| γ | 90° |
| Cell volume | 4755 ± 3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1018 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102466.cif |
| 176728 | 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. |
8102466.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102466.cif |
| 13205 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102466 via cif-deposit CGI script. |
8102466.cif |
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