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Information card for entry 2240136
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| Coordinates | 2240136.cif |
|---|---|
| Structure factors | 2240136.hkl |
| Original IUCr paper | HTML |
| Chemical name | Pentakis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')lanthanum(III) trichloride‒ethylenediamine‒dichloromethane (1/1/1) |
|---|---|
| Formula | C13 H50 Cl5 La N12 |
| Calculated formula | C12 H48 Cl3 La N12 |
| SMILES | C1C[NH2][La]2345([NH2]1)([NH2]CC[NH2]2)([NH2]CC[NH2]3)([NH2]CC[NH2]4)[NH2]CC[NH2]5.C(CN)N.[Cl-].[Cl-].[Cl-] |
| Title of publication | Crystal structure of pentakis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')lanthanum(III) trichloride‒ethylenediamine‒dichloromethane (1/1/1) |
| Authors of publication | Sartain, Hope T.; Staples, Richard J.; Biros, Shannon M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 424 - 426 |
| a | 8.807 ± 0.0007 Å |
| b | 14.653 ± 0.0012 Å |
| c | 22.111 ± 0.0018 Å |
| α | 90° |
| β | 92.156 ± 0.0009° |
| γ | 90° |
| Cell volume | 2851.4 ± 0.4 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0728 |
| Weighted residual factors for all reflections included in the refinement | 0.0772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240136.cif 2240136.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240136.cif 2240136.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240136.cif 2240136.hkl |
| 125970 | 2014-10-30 | cif/ hkl/ Adding structures of 2240136 via cif-deposit CGI script. |
2240136.cif 2240136.hkl |
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Users of the data should acknowledge the original authors of the
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