Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4300140
Preview
| Coordinates | 4300140.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H30 N P2 S2 Yb |
|---|---|
| Calculated formula | C34 H30 N P2 S2 Yb |
| SMILES | [Yb]123456789%10([N](=P(S1)(c1ccccc1)c1ccccc1)P(=[S]2)(c1ccccc1)c1ccccc1)([cH]1[cH]3[cH]4[cH]5[cH]16)[cH]1[cH]7[cH]8[cH]9[cH]1%10 |
| Title of publication | Syntheses, Structures, and Properties of the Bis(cyclopentadienyl) Rare-Earth Imidodiphosphinochalcogenido Compounds Cp2Ln[N(QPPh2)2] (Ln = La, Gd, Er, or Yb for Q = Se; Ln = Yb for Q = S) |
| Authors of publication | Christopher G. Pernin; James A. Ibers |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 1216 - 1221 |
| a | 13.8799 ± 0.0018 Å |
| b | 12.6747 ± 0.0016 Å |
| c | 17.18 ± 0.002 Å |
| α | 90° |
| β | 91.102 ± 0.003° |
| γ | 90° |
| Cell volume | 3021.8 ± 0.7 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0241 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for significantly intense reflections | 0.0601 |
| Weighted residual factors for all reflections included in the refinement | 0.0609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 120081 (current) | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4300140.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4300140.cif |
| 19562 | 2011-05-20 | cif/4 Updating CIFs and SQL entries with data downloaded from Issue 6 of Inorg. Chem. 2000 |
4300140.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4300140.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
4300140.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4300140.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4300140.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4300140.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4300140.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.