Crystallography Open Database

Information card for entry 4084741

Preview

Coordinates	4084741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H66 Cl12 Co2 N6
Calculated formula	C58 H66 Cl12 Co2 N6
SMILES	c12c(cc(cc1C)C)CCc1c([N]3=C(c4[n]5c(C(=[N](c6c(cc(cc6C)C)CCc6c([N]7=C(c8[n]9c(C(=[N]2[Co]79(Cl)Cl)C)ccc8)C)c(cc(c6)C)C)[Co]35(Cl)Cl)C)ccc4)C)c(cc(c1)C)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
Title of publication	Ethylene Polymerization at High Temperatures Catalyzed by Double-Decker-Type Dinuclear Iron and Cobalt Complexes: Dimer Effect on Stability of the Catalyst and Polydispersity of the Product
Authors of publication	Takeuchi, Daisuke; Takano, Shigenaga; Takeuchi, Yuji; Osakada, Kohtaro
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	19
Pages of publication	5316
a	25.183 ± 0.005 Å
b	13.554 ± 0.003 Å
c	19.833 ± 0.004 Å
α	90°
β	95.394 ± 0.009°
γ	90°
Cell volume	6740 ± 2 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.3974
Goodness-of-fit parameter for all reflections included in the refinement	1.191
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178736 (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 4/08/47.	4084741.cif
126810	2014-11-11	cif/ Adding structures of 4084741 via cif-deposit CGI script.	4084741.cif