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Information card for entry 4080817
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Coordinates | 4080817.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | difluorido-bis(1,4,7,10,13-pentaoxacyclohexadec-15-ylmethyl)-stannane |
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Formula | C24 H46 F2 O10 Sn |
Calculated formula | C24 H46 F2 O10 Sn |
SMILES | [Sn](CC1COCCOCCOCCOCCOC1)(CC1COCCOCCOCCOCCOC1)(F)F |
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 | 14.586 ± 0.006 Å |
b | 12.2579 ± 0.0013 Å |
c | 16.169 ± 0.004 Å |
α | 90° |
β | 102.09 ± 0.04° |
γ | 90° |
Cell volume | 2826.8 ± 1.5 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 | 0.0546 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0297 |
Weighted residual factors for all reflections included in the refinement | 0.0305 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.807 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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