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Information card for entry 4078273
Preview
Coordinates | 4078273.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C102 H110 In4 O12 |
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Calculated formula | C102 H108 In4 O12 |
SMILES | C1C[O]2[In]3(O[In]42([O]=C(O4)O[In]24([O](CCO4)[In]4([O]=C(O3)O4)(O2)c2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)c2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)c2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)(c2c(cccc2c2c(cc(C)cc2C)C)c2c(cc(C)cc2C)C)O1 |
Title of publication | Concomitant Reactivity of them-Terphenylindium Dihydroxide [2,6-Mes2C6H3In(OH)2]4toward Carbon Dioxide and Ethylene Glycol |
Authors of publication | Ahmad, S. Usman; Beckmann, Jens; Duthie, Andrew |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 9 |
Pages of publication | 3802 |
a | 13.372 ± 0.008 Å |
b | 19.775 ± 0.015 Å |
c | 17.78 ± 0.012 Å |
α | 90° |
β | 102.4 ± 0.05° |
γ | 90° |
Cell volume | 4592 ± 5 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1593 |
Residual factor for significantly intense reflections | 0.0557 |
Weighted residual factors for significantly intense reflections | 0.0913 |
Weighted residual factors for all reflections included in the refinement | 0.1228 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.691 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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