Crystallography Open Database

Information card for entry 4330632

Preview

Coordinates	4330632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 Br Cu N2 S
Calculated formula	C9 H12 Br Cu N2 S
Title of publication	Syntheses and Structures of Closely Related Copper(I) Complexes of Tridentate (2-Pyridylmethyl)imine and (2-Pyridylmethyl)amine Ligands and Their Use in Mediating Atom Transfer Radical Polymerizations
Authors of publication	Sara A. Turner; Zachary D. Remillard; Desire T. Gijima; Emily Gao; Robert D. Pike; Christopher Goh
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10762 - 10773
a	7.2009 ± 0.0001 Å
b	18.5294 ± 0.0003 Å
c	9.6101 ± 0.0001 Å
α	90°
β	110.527 ± 0.001°
γ	90°
Cell volume	1200.85 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.029
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179409 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/06.	4330632.cif
80086	2013-04-06	cif/ Adding structures of 4330632 via cif-deposit CGI script.	4330632.cif