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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)) |
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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 |
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