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Information card for entry 4080815
Preview
Coordinates | 4080815.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | dibromido-bis(1,4,7,10,13-pentaoxacyclohexadec-15-ylmethyl)-stannane |
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Formula | C24 H46 Br2 O10 Sn |
Calculated formula | C24 H46 Br2 O10 Sn |
SMILES | Br[Sn](CC1COCCOCCOCCOCCOC1)(CC1COCCOCCOCCOCCOC1)Br |
Title of publication | Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors |
Authors of publication | Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 9 |
Pages of publication | 2775 |
a | 16.1335 ± 0.0019 Å |
b | 11.5894 ± 0.0007 Å |
c | 16.415 ± 0.003 Å |
α | 90° |
β | 100.304 ± 0.018° |
γ | 90° |
Cell volume | 3019.7 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0239 |
Weighted residual factors for significantly intense reflections | 0.0495 |
Weighted residual factors for all reflections included in the refinement | 0.0505 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.922 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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