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Information card for entry 4328888
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Coordinates | 4328888.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Gd[15-MC Cu(II), L-homopheHA-5](btDC) |
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Formula | C154.25 H225 Cu10 Gd2 N28 O58.25 S6 |
Calculated formula | C154.75 H188.25 Cu10 Gd2 N28 O58.25 S6 |
Title of publication | Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal |
Authors of publication | Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro |
Journal of publication | Inorganic Chemistry |
Year of publication | 2012 |
Journal volume | 51 |
Pages of publication | 4527 - 4538 |
a | 16.7609 ± 0.0009 Å |
b | 35.759 ± 0.002 Å |
c | 17.9482 ± 0.001 Å |
α | 90° |
β | 107.712 ± 0.001° |
γ | 90° |
Cell volume | 10247.4 ± 1 Å3 |
Cell temperature | 85 ± 2 K |
Ambient diffraction temperature | 85 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0592 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.154 |
Weighted residual factors for all reflections included in the refinement | 0.158 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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