Crystallography Open Database

Information card for entry 7028483

Preview

Coordinates	7028483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H54 Co N4 O2
Calculated formula	C48 H54 Co N4 O2
SMILES	[Co]1234([n]5c6c([N]1=Cc1c(O4)c(cc(c1)C(C)(C)C)C(C)(C)C)cccc6ccc5)[n]1cccc4cccc([N]2=Cc2c(O3)c(cc(c2)C(C)(C)C)C(C)(C)C)c14
Title of publication	The enhanced catalytic performance of cobalt catalysts towards butadiene polymerization by introducing a labile donor in a salen ligand.
Authors of publication	Gong, Dirong; Wang, Baolin; Jia, Xiaoyu; Zhang, Xuequan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	10
Pages of publication	4169 - 4178
a	15.7846 ± 0.0009 Å
b	16.9833 ± 0.001 Å
c	19.7804 ± 0.0011 Å
α	90°
β	112.268 ± 0.001°
γ	90°
Cell volume	4907.2 ± 0.5 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1706
Weighted residual factors for all reflections included in the refinement	0.1783
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
179990 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/84.	7028483.cif
105337	2014-03-12	cif/ Adding structures of 7028482, 7028483 via cif-deposit CGI script.	7028483.cif