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Information card for entry 7020340
Preview
Coordinates | 7020340.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H24 Cl3 In N O6 P |
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Calculated formula | C17 H24 Cl3 In N O6 P |
SMILES | [In](Cl)(Cl)(Cl)([O]=P(OCC)(OCC)CN1C(=O)c2ccccc2C1=O)[O]1CCCC1 |
Title of publication | Synthesis and structures of a pentanuclear Al(III) phosphonate cage, an In(III) phosphonate polymer, and coordination compounds of the corresponding phosphonate ester with GaI3 and InCl3. |
Authors of publication | Richards, Anne F.; Beavers, Christine M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 37 |
Pages of publication | 11305 - 11310 |
a | 7.9265 ± 0.0003 Å |
b | 8.0262 ± 0.0003 Å |
c | 21.3673 ± 0.0009 Å |
α | 99.131 ± 0.004° |
β | 92.125 ± 0.003° |
γ | 117.475 ± 0.004° |
Cell volume | 1181.3 ± 0.09 Å3 |
Cell temperature | 173.2 K |
Ambient diffraction temperature | 173.2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0452 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0771 |
Weighted residual factors for all reflections included in the refinement | 0.0821 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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