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Information card for entry 7006350
Preview
| Coordinates | 7006350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H114 Ga N8 O12 P6 |
|---|---|
| Calculated formula | C96 H114 Ga N8 O12 P6 |
| SMILES | C1C[NH+](CP(=O)(c2ccccc2)O[Ga]234(OP(=O)(C[NH+](CCN1CC[NH+](CP(=O)(c1ccccc1)[O]2)Cc1ccccc1)Cc1ccccc1)c1ccccc1)OP(C[NH+](CCN(CC[NH+](CP(O3)(c1ccccc1)=O)Cc1ccccc1)CC[NH+](CP(=O)(c1ccccc1)O4)Cc1ccccc1)Cc1ccccc1)(c1ccccc1)=O)Cc1ccccc1 |
| Title of publication | Lanthanide(III) and group 13 metal ion complexes of tripodal amino phosphinate ligands. |
| Authors of publication | Kovacs, Michael S.; Monga, Vishakha; Patrick, Brian O.; Orvig, Chris |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 1 |
| Pages of publication | 31 - 38 |
| a | 23.98 ± 0.0007 Å |
| b | 23.98 ± 0.0007 Å |
| c | 32.5706 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 16220.1 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.126 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179767 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/63. |
7006350.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006350.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006350.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006350.cif |
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Users of the data should acknowledge the original authors of the
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