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Information card for entry 7219531
Preview
| Coordinates | 7219531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Mu-(1,3-phenylenebis(methylene) tetraphenyl diphosphoramidate) Bis(chlorotriphenyltin(IV)) |
|---|---|
| Formula | C68 H60 Cl2 N2 O6 P2 Sn2 |
| Calculated formula | C68 H60 Cl2 N2 O6 P2 Sn2 |
| SMILES | c1(ccccc1)OP(=[O][Sn](c1ccccc1)(c1ccccc1)(c1ccccc1)Cl)(NCc1cccc(c1)CNP(=[O][Sn](c1ccccc1)(c1ccccc1)(c1ccccc1)Cl)(Oc1ccccc1)Oc1ccccc1)Oc1ccccc1 |
| Title of publication | Triphenyltin(iv) adducts of diphosphoryl ligands: structural, electronic and energy aspects from X-ray crystallography and theoretical calculations |
| Authors of publication | Gholivand, K.; Gholami, A.; Ebrahimi, A. A. V.; Abolghasemi, S. T.; Esrafili, M. D.; Fadaei, F. T.; Schenk, K. J. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 23 |
| Pages of publication | 17482 |
| a | 19.1057 ± 0.0008 Å |
| b | 10.0612 ± 0.0004 Å |
| c | 16.6443 ± 0.0006 Å |
| α | 90° |
| β | 99.54 ± 0.003° |
| γ | 90° |
| Cell volume | 3155.2 ± 0.2 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 K |
| Number of distinct elements | 7 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.0618 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180526 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/95. |
7219531.cif |
| 131628 | 2015-02-10 | cif/ Adding structures of 7219527, 7219528, 7219529, 7219530, 7219531, 7219532 via cif-deposit CGI script. |
7219531.cif |
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Users of the data should acknowledge the original authors of the
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