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Information card for entry 4342671
Preview
| Coordinates | 4342671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H154 Ce2 K2 O14 Si8 |
|---|---|
| Calculated formula | C90 H154 Ce2 K2 O14 Si8 |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Ce]16789%10%11%122345([cH]2[cH]1[cH]6[cH]7[cH]82)([cH]1[cH]9[cH]%10[cH]%11[cH]%121)[Si]([Si](C)(C)[Si](C)(C)[Si]([Ce]123456789%10%11%12([cH]%13[cH]1[cH]2[cH]3[cH]4%13)([cH]1[cH]5[cH]6[cH]7[cH]81)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.[K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O]1CCCC1.c1ccccc1.[K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O]1CCCC1.c1ccccc1 |
| Title of publication | Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure, and Bonding Analysis. |
| Authors of publication | Zitz, Rainer; Arp, Henning; Hlina, Johann; Walewska, Małgorzata; Marschner, Christoph; Szilvási, Tibor; Blom, Burgert; Baumgartner, Judith |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 7 |
| Pages of publication | 3306 - 3315 |
| a | 13.057 ± 0.003 Å |
| b | 14.966 ± 0.003 Å |
| c | 15.668 ± 0.003 Å |
| α | 95.37 ± 0.03° |
| β | 113.07 ± 0.03° |
| γ | 108.67 ± 0.03° |
| Cell volume | 2583 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0493 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179529 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/26. |
4342671.cif |
| 138098 | 2015-06-05 | cif/ Updating files of 4342667, 4342668, 4342669, 4342670, 4342671, 4342672, 4342673, 4342674 Original log message: Adding full bibliography for 4342667--4342674.cif. |
4342671.cif |
| 133781 | 2015-03-11 | cif/ Adding structures of 4342667, 4342668, 4342669, 4342670, 4342671, 4342672, 4342673, 4342674 via cif-deposit CGI script. |
4342671.cif |
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Users of the data should acknowledge the original authors of the
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