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Information card for entry 7223222
Preview
Coordinates | 7223222.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H34 Cl6 O4 P2 Sn2 |
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Calculated formula | C42 H34 Cl6 O4 P2 Sn2 |
SMILES | c1(ccccc1)[Sn]([O]=P(Oc1ccc(OP(=[O][Sn](c2ccccc2)(Cl)(Cl)Cl)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1)(Cl)(Cl)Cl |
Title of publication | Supramolecular assemblies of organotin(IV)-diphosphoryl adducts: Insights from X-rays and DFT |
Authors of publication | Gholivand, Khodayar; Gholami, Akram; Schenk, Kurt; Esrafili, Mehdi; Farshadfar, Kaveh |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 9.0016 ± 0.0012 Å |
b | 9.2252 ± 0.0012 Å |
c | 14.687 ± 0.002 Å |
α | 78.123 ± 0.01° |
β | 87.443 ± 0.011° |
γ | 67.904 ± 0.01° |
Cell volume | 1105.1 ± 0.3 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0271 |
Residual factor for significantly intense reflections | 0.023 |
Weighted residual factors for significantly intense reflections | 0.0656 |
Weighted residual factors for all reflections included in the refinement | 0.0685 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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