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Information card for entry 4320660
Preview
| Coordinates | 4320660.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H77 B2 N7 Pb |
|---|---|
| Calculated formula | C71 H75 B2 N7 Pb |
| SMILES | [Pb]12345[n]6c7c8[n]1c(ccc8)C[NH]2CC[N]3(C)CC[N]4(C)CCN(C)CC[NH]5Cc6ccc7.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Cd(II) and Pb(II) Complexation by Dipyridine-Containing Macrocycles with Different Molecular Architecture. Effect of Complex Protonation on Metal Coordination Environment |
| Authors of publication | Paloma Arranz; Carla Bazzicalupi; Andrea Bencini; Antonio Bianchi; Samuele Ciattini; Patrizia Fornasari; Claudia Giorgi; Barbara Valtancoli |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 6383 - 6389 |
| a | 11.335 ± 0.005 Å |
| b | 28.526 ± 0.005 Å |
| c | 19.635 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 106.43 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 6090 ± 3 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0912 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179309 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/06. |
4320660.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320660.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320660.cif |
| 17856 | 2011-04-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4320660 via cif-deposit CGI script. |
4320660.cif |
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