Crystallography Open Database

Information card for entry 8000049

Preview

Coordinates	8000049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 N2 O2 Si W
Calculated formula	C27 H36 N2 O2 Si W
SMILES	[W]1234(C#[O])(C#[O])([Si](C)(C)[n+]5ccc(cc5)N(C)C)(c5ccccc5)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
Title of publication	Reversible 1,2-Migration of Aryl Groups on Silyl Ligands: Formation and Properties of Silylenetungsten Complexes Stabilized by an External Base
Authors of publication	Eiji Suzuki; Masaaki Okazaki; Hiromi Tobita
Journal of publication	Chemistry Letters
Year of publication	2005
Journal volume	34
Journal issue	7
Pages of publication	1026
a	9.3757 ± 0.0005 Å
b	14.2704 ± 0.0012 Å
c	21.028 ± 0.001 Å
α	84.401 ± 0.002°
β	79.749 ± 0.004°
γ	72.982 ± 0.003°
Cell volume	2644.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1278
Residual factor for significantly intense reflections	0.1034
Weighted residual factors for significantly intense reflections	0.2395
Weighted residual factors for all reflections included in the refinement	0.2528
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	8000049.cif
120070	2014-07-11	cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8.	8000049.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8000049.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.	8000049.cif
21	2008-01-26	Replacing all my collected files in COD with a newly regenerated CIF files that now have correct syntax.	8000049.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/'	8000049.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8000049.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.	8000049.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)	8000049.cif