Crystallography Open Database

Information card for entry 7110852

Preview

Coordinates	7110852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H51 Cl N5 Si4 V
Calculated formula	C33 H51 Cl N5 Si4 V
SMILES	[V]12(Cl)([N]([Si](C)(C)C)=C(N1[Si](C)(C)C)c1ccccc1)([N]([Si](C)(C)C)=C(N2[Si](C)(C)C)c1ccccc1)[N]#Cc1ccccc1
Title of publication	The N,N′-bis(trimethylsilyl)pentafluorobenzamidinate ligand: enhanced ethene oligomerisation with a neutral V(iii) bis(benzamidinate) alkyl catalyst
Authors of publication	Brussee, Edward A. C.; Meetsma, Auke; Hessen, Bart; Teuben, Jan H.
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	6
Pages of publication	497
a	20.778 ± 0.001 Å
b	17.918 ± 0.001 Å
c	21.623 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8050.2 ± 0.7 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1086
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.1093
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180222 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110852.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7110852.cif
95965	2014-01-28	cif/ Adding structures of 7110852, 7110853 via cif-deposit CGI script.	7110852.cif