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Information card for entry 4060937
Preview
| Coordinates | 4060937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H36 I4 Nb O P Si2 |
|---|---|
| Calculated formula | C29 H36 I4 Nb O P Si2 |
| SMILES | [Nb]12345678([P](I)(c9ccccc9)c9ccccc9)(C#[O])([c]9([Si](C)(C)C)[cH]1[cH]2[cH]3[cH]49)[c]1([Si](C)(C)C)[cH]5[cH]6[cH]7[cH]81.I[I-]I |
| Title of publication | Reactivity of a Phosphido-Niobocene Derivative toward CS2 and Alkyl Halides to Give Phosphinodithioformato- and Phosphino-Niobocene Complexes: X-ray Crystal Structures of [Nb(η5-C5H4SiMe3)2(κ1-S-SC(S)(PPh2))(CO)] and [Nb(η5-C5H4SiMe3)2(P(I)Ph2)(CO)]I3 |
| Authors of publication | Antiñolo, Antonio; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 5 |
| Pages of publication | 1310 - 1316 |
| a | 11.608 ± 0.001 Å |
| b | 12.194 ± 0.005 Å |
| c | 14.197 ± 0.002 Å |
| α | 81.77 ± 0.02° |
| β | 78.42 ± 0.01° |
| γ | 72.22 ± 0.01° |
| Cell volume | 1867.4 ± 0.8 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Duplicate of | 4074931 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297035 (current) | 2025-01-02 | Corrected values of the '_cod_duplicate_entry' data item in entries 4060936, 4060937. |
4060937.cif |
| 297034 | 2025-01-02 | Corrected values of the '_cod_duplicate_entry' data item in entries 4060936, 4060937. |
4060937.cif |
| 209886 | 2018-08-17 | cif/4/ Updating the publication title in entries 4060936-4060937, 4074930-4074931. |
4060937.cif |
| 209853 | 2018-08-17 | cif/4/ Updating bibliography in entries 4060936-4060937, 4074930-4074931. Marking entries 4060936-4060937 as duplicates of entries 4074930-4074931. |
4060937.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4060937.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4060937.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
4060937.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. |
4060937.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/' |
4060937.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4060937.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. |
4060937.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) |
4060937.cif |
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Users of the data should acknowledge the original authors of the
structural data.