Crystallography Open Database

Information card for entry 4337329

Preview

Coordinates	4337329.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	data
Formula	C11 H18 Cl2 Cu N4 O5
Calculated formula	C11 H18 Cl2 Cu N4 O5.008
Title of publication	Structural, Spectral, and Electrochemical Properties of Nickel(II), Copper(II), and Zinc(II) Complexes Containing 12-Membered Pyridine- and Pyridol-Based Tetra-aza Macrocycles.
Authors of publication	Lincoln, Kimberly M.; Offutt, Michael E.; Hayden, Travis D.; Saunders, Ryker E.; Green, Kayla N.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1406 - 1416
a	11.454 ± 0.005 Å
b	8.985 ± 0.004 Å
c	18.166 ± 0.006 Å
α	90°
β	122.113 ± 0.019°
γ	90°
Cell volume	1583.5 ± 1.2 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	493 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0277
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179476 (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 4/33/73.	4337329.cif
106278	2014-03-15	cif/ Adding structures of 4337329 via cif-deposit CGI script.	4337329.cif