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Information card for entry 4309296
Preview
| Coordinates | 4309296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Li5Ca7Sn11 |
|---|---|
| Formula | Ca7 Li5 Sn11 |
| Calculated formula | Ca7 Li5 Sn11 |
| SMILES | [Ca+2].[Sn]1[Sn][Sn][Sn][Sn]1.[Ca+2].[Ca+2].[Sn]([Sn][Sn][Sn])[Sn][Sn].[Li+].[Li+].[Ca+2].[Ca+2].[Ca+2].[Li+].[Li+].[Ca+2].[Li+] |
| Title of publication | Heavy-Metal Aromatic and Conjugated Species: Rings, Oligomers, and Chains of Tin in Li9-xEuSn6+x, Li9-xCaSn6+x, Li5Ca7Sn11, Li6Eu5Sn9, LiMgEu2Sn3, and LiMgSr2Sn3 |
| Authors of publication | Iliya Todorov; Slavi C. Sevov |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 5361 - 5369 |
| a | 4.6665 ± 0.001 Å |
| b | 17.0592 ± 0.001 Å |
| c | 31.619 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2517.1 ± 0.6 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0657 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.08 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4309296.cif |
| 179130 | 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 4/30/92. |
4309296.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309296.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309296.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). |
4309296.cif |
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