Crystallography Open Database

Information card for entry 4327631

Preview

Coordinates	4327631.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2
Formula	C17 H22 Cl2 Cu N4 O8
Calculated formula	C17 H22 Cl2 Cu N4 O8
Title of publication	Copper(II) Complexes of Pyridyl-Appended Diazacycloalkanes: Synthesis, Characterization, and Application to Catalytic Olefin Aziridination
Authors of publication	Jason A. Halfen; Joseph M. Uhan; Derek C. Fox; Mark P. Mehn; Lawrence Que
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	4913 - 4920
a	8.498 ± 0.001 Å
b	9.079 ± 0.001 Å
c	14.944 ± 0.003 Å
α	85.98 ± 0.02°
β	88.29 ± 0.02°
γ	66.83 ± 0.01°
Cell volume	1057.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0893
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179379 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/76.	4327631.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327631.cif
61463	2012-07-04	cif/ Adding structures of 4327631 via cif-deposit CGI script.	4327631.cif