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Information card for entry 7103563
Preview
Coordinates | 7103563.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H42 I3 In O8 P2 |
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Calculated formula | C42 H42 I3 In O8 P2 |
SMILES | I[In]([O]=P(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccc(cc1)OC)(I)(I)[O]=P(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccc(cc1)OC |
Title of publication | Solid-state (115)In NMR study of indium coordination complexes. |
Authors of publication | Chen, Fu; Ma, Guibin; Cavell, Ronald G; Terskikh, Victor V; Wasylishen, Roderick E |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 45 |
Pages of publication | 5933 - 5935 |
a | 12.9326 ± 0.0004 Å |
b | 12.9326 ± 0.0004 Å |
c | 15.5514 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2252.53 ± 0.18 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 163 |
Hermann-Mauguin space group symbol | P -3 1 c |
Hall space group symbol | -P 3 2c |
Residual factor for all reflections | 0.025 |
Residual factor for significantly intense reflections | 0.0247 |
Weighted residual factors for significantly intense reflections | 0.0667 |
Weighted residual factors for all reflections included in the refinement | 0.0669 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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