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Information card for entry 4313953
Preview
Coordinates | 4313953.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H40 B Cl6 N10 Tm |
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Calculated formula | C55 H40 B Cl6 N10 Tm |
SMILES | [Tm]12345([N]6C7=C(c8n3c(C(=C3[N]2=C(C(=c2n1c(=C(C=6C=C7)c1ccccc1)cc2)c1ccccc1)C=C3)c1ccccc1)cc8)c1ccccc1)[n]1n([BH](n2[n]4ccc2)n2[n]5ccc2)ccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Facile Preparation and Photophysics of Near-Infrared Luminescent Lanthanide(III) Monoporphyrinate Complexes |
Authors of publication | Timothy J. Foley; Benjamin S. Harrison; Alison S. Knefely; Khalil A. Abboud; John R. Reynolds; Kirk S. Schanze; James M. Boncella |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 5023 - 5032 |
a | 18.4931 ± 0.0008 Å |
b | 14.6041 ± 0.0006 Å |
c | 19.4154 ± 0.0009 Å |
α | 90° |
β | 98.808 ± 0.002° |
γ | 90° |
Cell volume | 5181.8 ± 0.4 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0382 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.075 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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