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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 |
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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 |
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