Crystallography Open Database

Information card for entry 7017062

Preview

Coordinates	7017062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 Cl2 Co2 N2 O8
Calculated formula	C38 H36 Cl2 Co2 N2 O8
SMILES	c1c2C=[N](c3c(C)cc(C)cc3C)[Co]3456[O]7c2c(C=[O][Co]27([N](=Cc7cc(cc(C=[O]5)c7[O]42)Cl)c2c(C)cc(C)cc2C)([O]=C(O3)C)OC(=[O]6)C)cc1Cl
Title of publication	Highly active and stereospecific polymerization of 1,3-butadiene catalyzed by dinuclear cobalt(ii) complexes bearing 3-aryliminomethyl-2-hydroxybenzaldehydes.
Authors of publication	Jie, Suyun; Ai, Pengfei; Li, Bo-Geng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	41
Pages of publication	10975 - 10982
a	23.979 ± 0.003 Å
b	23.979 ± 0.003 Å
c	13.13 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7549.7 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1857
Goodness-of-fit parameter for all reflections included in the refinement	0.908
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
179874 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/70.	7017062.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017062.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017062.cif
30032	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7017062 via cif-deposit CGI script.	7017062.cif