Crystallography Open Database

Information card for entry 1507243

Preview

Coordinates	1507243.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	6b
Chemical name	[1,1'-bis(1-butylbenzimidazol-2-yl) pentane]copper(II) dichloride
Formula	C27 H36 Cl2 Cu N4
Calculated formula	C27 H36 Cl2 Cu N4
SMILES	[Cu]1(Cl)(Cl)[n]2c(n(c3c2cccc3)CCCC)C(CCCC)c2n(c3c([n]12)cccc3)CCCC
Title of publication	Polymerization and Copolymerization of Olefins and Acrylates by Bis(benzimidazole) Copper Catalysts
Authors of publication	Stibrany, Robert T.; Schulz, Donald N.; Kacker, Smita; Patil, Abhimanyu O.; Baugh, Lisa S.; Rucker, Steven P.; Zushma, Stephen; Berluche, Enock; Sissano, Joseph A.
Journal of publication	Macromolecules
Year of publication	2003
Journal volume	36
Journal issue	23
Pages of publication	8584
a	13.54 ± 0.002 Å
b	14.597 ± 0.002 Å
c	13.972 ± 0.002 Å
α	90°
β	97.63 ± 0.02°
γ	90°
Cell volume	2737 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1948
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1689
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507243.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507243.cif
53764	2012-04-20	cif/ Adding structures of 1507239, 1507240, 1507241, 1507242, 1507243, 1507244 via cif-deposit CGI script.	1507243.cif