Crystallography Open Database

Information card for entry 4107726

Preview

Coordinates	4107726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 Cl3 Cu N4 O4
Calculated formula	C19 H19 Cl3 Cu N4 O4
Title of publication	Suggestion of an Organometallic Intermediate in an Intramolecular Dechlorination Reaction Involving Copper(I) and a ArCH2Cl Moiety
Authors of publication	Debabrata Maiti; Amy A. Narducci Sarjeant; Shinobu Itoh; Kenneth D. Karlin
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	5644 - 5645
a	8.4827 ± 0.0009 Å
b	13.8667 ± 0.0017 Å
c	18.602 ± 0.006 Å
α	90°
β	101.033 ± 0.015°
γ	90°
Cell volume	2147.7 ± 0.8 Å³
Ambient diffraction temperature	110 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	0.058
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
178823 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/77.	4107726.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107726.cif
55875	2012-05-07	cif/ Adding structures of 4107726 via cif-deposit CGI script.	4107726.cif