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Information card for entry 4082941
Preview
| Coordinates | 4082941.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H104 Cl12 N8 O8 S10 Sn6 |
|---|---|
| Calculated formula | C64 H104 Cl12 N8 O8 S10 Sn6 |
| SMILES | C1(C)(C)[Sn]234S[Sn]56([S]2[Sn]2(C(C)(C)CC(=[N]2NC(=O)CC27CC8CC(CC(=O)N[N]3=C(C1)C)(CC(C8)C2)C7)C)(S4)S5)S[Sn]12(S[Sn]345C(C)(C)CC(C)=[N]3NC(=O)CC37CC8CC(C3)CC(C8)(C7)CC(=O)N[N]3=C(CC(C)(C)[Sn]3(S4)(S1)[S]25)C)S6.O1CCOCC1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.O1CCOCC1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Diamondoid Hydrazones and Hydrazides: Sterically Demanding Ligands for Sn/S Cluster Design |
| Authors of publication | Barth, Beatrix E. K.; Tkachenko, Boryslav A.; Eußner, Jens P.; Schreiner, Peter R.; Dehnen, Stefanie |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 7 |
| Pages of publication | 1678 |
| a | 13.7197 ± 0.0007 Å |
| b | 30.9148 ± 0.001 Å |
| c | 11.103 ± 0.0005 Å |
| α | 90° |
| β | 99.732 ± 0.004° |
| γ | 90° |
| Cell volume | 4641.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1051 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1024 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.803 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178718 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/29. |
4082941.cif |
| 109852 | 2014-04-17 | cif/ Updating files of 4082941 Original log message: Adding full bibliography for 4082941.cif. |
4082941.cif |
| 109780 | 2014-04-17 | cif/ (saulius@koala.ibt.lt) Restoring in bulk the COD CIFs that had their bibliographies update recently: svn merge -r109779:109651 . The problem was that: a) the COD deposition pipeline incorrectly folded some text fields; b) it removed last page number from some CIFs that had it before. An attempt to updated bibliographies will be repeated with corrected scripts. |
4082941.cif |
| 109723 | 2014-04-17 | cif/ Updating files of 4082941 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082941.cif. |
4082941.cif |
| 108888 | 2014-04-04 | cif/ Adding structures of 4082938, 4082939, 4082940, 4082941, 4082942 via cif-deposit CGI script. |
4082941.cif |
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Users of the data should acknowledge the original authors of the
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