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Information card for entry 4512437
Preview
| Coordinates | 4512437.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H64 N10 O11 Sn2 |
|---|---|
| Calculated formula | C55 H64 N10 O11 Sn2 |
| SMILES | [Sn](OC(=[O][Sn](OC(=O)CCn1cnc2cnc(nc12)N)(c1ccccc1)(c1ccccc1)c1ccccc1)CCn1c2nc(ncc2nc1)N)([OH2])(c1ccccc1)(c1ccccc1)c1ccccc1.O.OC.O.O.OC.OC |
| Title of publication | Polymeric, Molecular and Ionic Organotin Complexes Containing Hypoxanthine, Adenine and 2-Aminopurine. Synthesis and Supramolecular Structures |
| Authors of publication | Kundu, Subrata; Mohapatra, Balaram; Mohapatra, Chandrajeet; Verma, Sandeep; Chandrasekhar, Vadapalli |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 247 |
| a | 9.6511 ± 0.0004 Å |
| b | 14.2607 ± 0.0006 Å |
| c | 22.0464 ± 0.001 Å |
| α | 96.442 ± 0.001° |
| β | 100.312 ± 0.001° |
| γ | 103.215 ± 0.001° |
| Cell volume | 2868.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0855 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1353 |
| Weighted residual factors for all reflections included in the refinement | 0.1557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4512437.cif |
| 130427 | 2015-02-04 | cif/ Updating files of 4512435, 4512436, 4512437, 4512438, 4512439 Original log message: Adding full bibliography for 4512435--4512439.cif. |
4512437.cif |
| 128187 | 2014-12-06 | cif/ Adding structures of 4512435, 4512436, 4512437, 4512438, 4512439 via cif-deposit CGI script. |
4512437.cif |
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Users of the data should acknowledge the original authors of the
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