Crystallography Open Database

Information card for entry 2010441

2010440 << 2010441 >> 2010442

Preview

Coordinates	2010441.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(η^5^-Cyclopentadienyl)[η^2^-diphenyl(o-phenylene)methyl] oxo(trimethylsilylmethylthio)tungsten(VI)
Formula	C29 H32 O S Si W
Calculated formula	C29 H32 O S Si W
Title of publication	(η5-Cyclopentadienyl)[2-(1,1-diphenylethyl-C^2^)phenyl-C^1^]oxo (trimethylsilylmethylthio)tungsten, [WO(C~4~H~11~SSi)(C~5~H~5~)(C~20~H~16~)]
Authors of publication	Brunet, Nathalie; Legzdins, Peter; Trotter, James; Yee, Vivien C.
Journal of publication	Acta Crystallographica, Section C: Crystal Structure Communications
Year of publication	1995
Journal volume	51
Journal issue	2
Pages of publication	193 - 195
a	9.415 ± 0.002 Å
b	11.539 ± 0.003 Å
c	13.388 ± 0.002 Å
α	72.18 ± 0.01°
β	79.37 ± 0.01°
γ	76.9 ± 0.03°
Cell volume	1338.2 ± 0.5 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 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	0.04
Residual factor for significantly intense reflections	0.027
Weighted residual factors for all reflections	0.032
Weighted residual factors for significantly intense reflections	0.032
Goodness-of-fit parameter for significantly intense reflections	1.25
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MolybdenumKα~1~
Duplicate of	2003191
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
190982 (current)	2017-01-26	cif/2/01/04/ (antanas@echidna.ibt.lt) Adding additional information from the original data file to entry 2010441 and marking it as a duplicate of entry 2003191.	2010441.cif
190978	2017-01-26	cif/2/01/04/ (antanas@echidna.ibt.lt) Adding the _atom_site_type_symbol data item in entry 2010441.	2010441.cif
190977	2017-01-26	cif/2/01/04/ (antanas@echidna.ibt.lt) Marking atom 'Cp' as a dummy atom in entry 2010441.	2010441.cif
190976	2017-01-26	cif/2/01/04/ (antanas@echidna.ibt.lt) Updating bibliography in entry 2010441.	2010441.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	2010441.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2010441.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.	2010441.cif
481	2008-11-20	Changing volume number in numerous Acta Cryst. C published CIFs from 'C[0-9]?[0-9]' into '[0-9]?[0-9]'. This makes the COD CIF collection more uniform, and also helps the deposition scripts to spot potential duplicates more accurately. The command for this transformation was: for i in 2/.cif; \ do ( \ if grep -q '_journal_volume C' $i && \ grep -q '_journal_name_full .Acta Cryst' $i; \ then \ echo === $i ===; \ perl -i -pe 's/_journal_volume C/_journal_volume /' $i; \ perl -i -pe \ "s/_journal_name_full ./_journal_name_full 'Acta Crystallographica Section C'/" $i ; \ fi \ ) done	2010441.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/'	2010441.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	2010441.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.	2010441.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)	2010441.cif