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Information card for entry 4309306
Preview
| Coordinates | 4309306.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H35 Li Lu N4 O14 P |
|---|---|
| Calculated formula | C15 H35 Li Lu N4 O14 P |
| SMILES | [Lu]1234567[N]8(CC[N]1(CC[N]2(CC[N]3(CC8)CC(=O)O7)CC(=[O][Li]([OH2])([OH2])[OH2])O6)CC(=O)O5)CP(=O)(O4)O.O.O |
| Title of publication | Crystal Structures of Lanthanide(III) Complexes with Cyclen Derivative Bearing Three Acetate and One Methylphosphonate Pendants |
| Authors of publication | Pavel Vojtíšek; Petr Cígler; Jan Kotek; Jakub Rudovský; Petr Hermann; Ivan Lukeš |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 5591 - 5599 |
| a | 12.683 ± 0.0002 Å |
| b | 13.177 ± 0.0002 Å |
| c | 14.985 ± 0.0002 Å |
| α | 90° |
| β | 93.017 ± 0.001° |
| γ | 90° |
| Cell volume | 2500.88 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0363 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.0875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4309306.cif |
| 179131 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/93. |
4309306.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309306.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309306.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309306.cif |
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