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Information card for entry 4082942
Preview
| Coordinates | 4082942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H104 N8 O4 S10 Sn6 |
|---|---|
| Calculated formula | C68 H104 N8 O4 S10 Sn6 |
| SMILES | C1(C)([Sn]234S[Sn]56(C(C)(C)CC(=[N]5NC(=O)CC57CC8(CC(CC(C7)C8)C5)CC(=O)N[N]4=C(C1)C)C)[S]2[Sn]1(S3)(S6)S[Sn]23([S]4[Sn]56(C(C)(C)CC(C)=[N]5NC(=O)CC57CC8(CC(=O)N[N]9=C(CC(C)(C)[Sn]49(S6)S3)C)CC(C5)CC(C7)C8)S2)S1)C.Cc1cc(C)ccc1.Cc1cccc(c1)C |
| 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 | 13.0677 ± 0.0006 Å |
| b | 30.6876 ± 0.0011 Å |
| c | 10.9754 ± 0.0004 Å |
| α | 90° |
| β | 102.965 ± 0.002° |
| γ | 90° |
| Cell volume | 4289.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0743 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1316 |
| Weighted residual factors for all reflections included in the refinement | 0.143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| 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. |
4082942.cif |
| 109853 | 2014-04-17 | cif/ Updating files of 4082942 Original log message: Adding full bibliography for 4082942.cif. |
4082942.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. |
4082942.cif |
| 109724 | 2014-04-17 | cif/ Updating files of 4082942 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-28993/cifs/4082942.cif. |
4082942.cif |
| 108888 | 2014-04-04 | cif/ Adding structures of 4082938, 4082939, 4082940, 4082941, 4082942 via cif-deposit CGI script. |
4082942.cif |
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Users of the data should acknowledge the original authors of the
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