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Information card for entry 4068939
Preview
| Coordinates | 4068939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H56 N8 O12 Sn2 |
|---|---|
| Calculated formula | C44 H56 N8 O12 Sn2 |
| SMILES | c1(ccccc1)[Sn]123(c4ccccc4)([n]4c(C(=O)O2)cc2[n]4[Sn]4(c5ccccc5)(c5ccccc5)([n]5[n]3c(C(=O)O1)cc5C(=O)O4)(OC2=O)[OH2])[OH2].N(C)(C)C=O.[NH2+](C)C.N(C)(C)C=O.[NH2+](C)C |
| Title of publication | Reactions of 3,5-Pyrazoledicarboxylic Acid with Organotin Chlorides and Oxides. Coordination Polymers Containing Organotin Macrocycles |
| Authors of publication | Chandrasekhar, Vadapalli; Thirumoorthi, Ramalingam |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 7 |
| Pages of publication | 2096 |
| a | 9.4989 ± 0.0007 Å |
| b | 16.8578 ± 0.0013 Å |
| c | 15.0246 ± 0.0012 Å |
| α | 90° |
| β | 108.004 ± 0.002° |
| γ | 90° |
| Cell volume | 2288.1 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0732 |
| Weighted residual factors for all reflections included in the refinement | 0.0763 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178579 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89. |
4068939.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068939.cif |
| 40053 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068937, 4068938, 4068939, 4068940, 4068941, 4068942 via cif-deposit CGI script. |
4068939.cif |
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Users of the data should acknowledge the original authors of the
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