Crystallography Open Database

Information card for entry 1507241

Preview

Coordinates	1507241.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5
Chemical name	[1,1'-bis(1-methylbenzimidazol-2-yl) -1''-(methoxy)ethane]copper(II) dichloride
Formula	C19 H20 Cl2 Cu N4 O
Calculated formula	C19 H20 Cl2 Cu N4 O
SMILES	[Cu]1(Cl)(Cl)[n]2c(n(c3c2cccc3)C)C(c2[n]1c1ccccc1n2C)(OC)C
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	14.036 ± 0.001 Å
b	16.258 ± 0.001 Å
c	17.012 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3882.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1
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
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.	1507241.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507241.cif
53764	2012-04-20	cif/ Adding structures of 1507239, 1507240, 1507241, 1507242, 1507243, 1507244 via cif-deposit CGI script.	1507241.cif