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Information card for entry 4501265
Preview
| Coordinates | 4501265.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H86 Br10 Ce4 O14 |
|---|---|
| Calculated formula | C30 H86 Br10 Ce4 O14 |
| SMILES | C(C)(C)[OH][Ce]1234([OH]C(C)C)([OH2])[OH]5[Ce]6([OH]C(C)C)([OH]C(C)C)([Br][Ce]75([OH]C(C)C)([OH]C(C)C)([OH2])([OH]3[Ce]([Br]1)([Br]2)(Br)([OH]C(C)C)([OH]C(C)C)(Br)[Br]7)[Br]6)(Br)(Br)[Br]4.OC(C)C.OC(C)C |
| Title of publication | Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials |
| Authors of publication | Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 5072 |
| a | 10.9064 ± 0.0007 Å |
| b | 11.6119 ± 0.0008 Å |
| c | 14.151 ± 0.001 Å |
| α | 108.177 ± 0.001° |
| β | 111.473 ± 0.001° |
| γ | 95.749 ± 0.001° |
| Cell volume | 1537.25 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.026 |
| Residual factor for significantly intense reflections | 0.0208 |
| Weighted residual factors for significantly intense reflections | 0.0451 |
| Weighted residual factors for all reflections included in the refinement | 0.0465 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179543 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/12. |
4501265.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501265.cif |
| 34830 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4501260, 4501261, 4501262, 4501263, 4501264, 4501265, 4501266 via cif-deposit CGI script. |
4501265.cif |
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