Crystallography Open Database

Information card for entry 4085626

Preview

Coordinates	4085626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H62 Cl2 Cr2 N4 O2
Calculated formula	C59 H62 Cl2 Cr2 N4 O2
Title of publication	Effect of Cocatalysts and Solvent on Selective Ethylene Oligomerization
Authors of publication	Vadake Kulangara, Shaneesh; Haveman, Daniel; Vidjayacoumar, Bala; Korobkov, Ilia; Gambarotta, Sandro; Duchateau, Rob
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	7
Pages of publication	1203
a	9.0393 ± 0.0006 Å
b	12.141 ± 0.0007 Å
c	13.0865 ± 0.0008 Å
α	110.516 ± 0.002°
β	99.497 ± 0.002°
γ	97.906 ± 0.002°
Cell volume	1296.65 ± 0.14 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1007
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178745 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/56.	4085626.cif
138293	2015-06-05	cif/ Updating files of 4085625, 4085626 Original log message: Adding full bibliography for 4085625--4085626.cif.	4085626.cif
134086	2015-03-19	cif/ Adding structures of 4085625, 4085626 via cif-deposit CGI script.	4085626.cif