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Information card for entry 1100600
Preview
| Coordinates | 1100600.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H62 Cd4 Cl6 N4 P4 |
|---|---|
| Calculated formula | C25 H62 Cd4 Cl6 N4 P4 |
| SMILES | [Cd]12(Cl)[N]3([Cd]4(Cl)[N]5([Cd](Cl)([N]14=P(CC)(CC)CC)[N]2([Cd]35Cl)=P(CC)(CC)CC)=P(CC)(CC)CC)=P(CC)(CC)CC.ClCCl |
| Title of publication | Heterocubane Phosphoraniminato Complexes of Cadmium |
| Authors of publication | Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1998 |
| Journal volume | 37 |
| Journal issue | 5 |
| Pages of publication | 1099 - 1104 |
| a | 11.007 ± 0.003 Å |
| b | 10.988 ± 0.003 Å |
| c | 18.528 ± 0.002 Å |
| α | 90° |
| β | 90.57 ± 0.02° |
| γ | 90° |
| Cell volume | 2240.8 ± 0.9 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0582 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections | 0.1431 |
| Weighted residual factors for significantly intense reflections | 0.1429 |
| Goodness-of-fit parameter for all reflections | 1.331 |
| Goodness-of-fit parameter for significantly intense reflections | 1.337 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177996 (current) | 2016-03-07 | cif/1/10/ (antanas@kurmis) Updating bibliography for entries 1100600, 1100601, 1100602, 1100603, 1100604. |
1100600.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1100600.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1100600.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100600.cif |
| 21579 | 2011-06-23 | smi/4 Adding SMILES of structures with atoms in special positions, with a few minor fixes in the corresponding CIFs. Also a few CIFs completed with data downloaded from Inorg. Chem. |
1100600.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. |
1100600.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. |
1100600.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/' |
1100600.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100600.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. |
1100600.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) |
1100600.cif |
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Users of the data should acknowledge the original authors of the
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