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Information card for entry 4333812
Preview
| Coordinates | 4333812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis(μ~3~-oxido)-bis(μ~2~-hydroxido)-tetrakis(2,8,9-trioxa-5-aza-3,3,7,7- tetramethyl-1-stanna-tricyclo[3.3.3.0^1.5^]undecane)-(stannanediol) hexaaqua solvate |
|---|---|
| Formula | C40 H96 N4 O24 Sn5 |
| Calculated formula | C40 H84 N4 O18 Sn5 |
| SMILES | [N]123CC(O[Sn]4563(OC(C1)(C)C)[O](CC2)[Sn]12([O]5[Sn]357([N](CC(O3)(C)C)(CC(O5)(C)C)CC[O]47)[OH][Sn]3457([N](CC(O3)(C)C)(CC(O4)(C)C)CC[O]15)[O]1CC[N]34CC(O[Sn]14(OC(C3)(C)C)([O]27)[OH]6)(C)C)(O)O)(C)C |
| Title of publication | Novel Trialkanolamine Derivatives of Tin of the Type [N(CH2CMe2O)2(CH2)nOSnOR]m (m= 1, 2;n= 2, 3; R =t-Bu, 2,6-Me2C6H3) and Related Tri- and Pentanuclear Tin(IV) Oxoclusters. Syntheses and Molecular Structures |
| Authors of publication | Thomas Zöller; Klaus Jurkschat |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 1872 - 1882 |
| a | 21.4992 ± 0.0007 Å |
| b | 14.945 ± 0.0006 Å |
| c | 20.9125 ± 0.0008 Å |
| α | 90° |
| β | 92.874 ± 0.003° |
| γ | 90° |
| Cell volume | 6710.9 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.838 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179441 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/38. |
4333812.cif |
| 99620 | 2014-02-03 | cif/ Adding structures of 4333812 via cif-deposit CGI script. |
4333812.cif |
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