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Information card for entry 4512847
Preview
| Coordinates | 4512847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H56 N6 O19 Pb3 |
|---|---|
| Calculated formula | C51 H56 N6 O19 Pb3 |
| Title of publication | pH-Specific Crystalline Binary and Ternary Metal‒Organic Framework Materials of Pb(II) with (Di)Tricarboxylate Ligands andN,N′-Aromatic Chelators. Structure, Architecture-Lattice Dimensionality, and Electronic Spectroscopic Property Correlations |
| Authors of publication | Gabriel, Catherine; Karakosta, Paraskevi; Vangelis, Angelos A.; Raptopoulou, Catherine P.; Terzis, Aris; Psycharis, Vassilis; Bertmer, Marko; Mateescu, Constantin; Salifoglou, Athanasios |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 4 |
| Pages of publication | 1666 |
| a | 10.303 ± 0.0002 Å |
| b | 25.2045 ± 0.0004 Å |
| c | 10.3907 ± 0.0001 Å |
| α | 90° |
| β | 92.932 ± 0.001° |
| γ | 90° |
| Cell volume | 2694.75 ± 0.07 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179676 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/28. |
4512847.cif |
| 134725 | 2015-04-04 | cif/ Updating files of 4512844, 4512845, 4512846, 4512847 Original log message: Adding full bibliography for 4512844--4512847.cif. |
4512847.cif |
| 134210 | 2015-03-21 | cif/ Adding structures of 4512847 via cif-deposit CGI script. |
4512847.cif |
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Users of the data should acknowledge the original authors of the
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