Crystallography Open Database

Information card for entry 7113895

Preview

Coordinates	7113895.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ni(eta3-C3H5)(eta6-C6H2O(Me)(tBu)2)](B(Ph(CF3)2)4x1.5CH2Cl2
Formula	C51.5 H44 B Cl3 F24 Ni O
Calculated formula	C51 H43 B Cl3.2 F24 Ni O
Title of publication	η^6^-Arene complexes of Ni(II), efficient catalysts for 1,3-butadiene and styrene polymerization
Authors of publication	Cámpora, Juan; del Mar Conejo, María; Reyes, Manuel L.; Mereiter, Kurt; Passaglia, Elisa
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	1
Pages of publication	78 - 79
a	13.807 ± 0.009 Å
b	13.981 ± 0.009 Å
c	17.466 ± 0.011 Å
α	95.84 ± 0.02°
β	101.41 ± 0.02°
γ	118.19 ± 0.02°
Cell volume	2838 ± 3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0931
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1514
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103634
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210494 (current)	2018-09-06	cif/7/ Updating bibliography in entries 7103634, 7113895. Marking entry 7113895 as a duplicate of entry 7103634.	7113895.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113895.cif
132230	2015-02-22	cif/7/11/ (antanas@koala.ibt.lt) Updating bibliography for CIF 7113895.	7113895.cif
115332	2014-06-03	cif/ Adding structures of 7113895 via cif-deposit CGI script.	7113895.cif