Crystallography Open Database

Information card for entry 4321658

Preview

Coordinates	4321658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 Cl2 Cu N5 O8
Calculated formula	C17 H27 Cl2 Cu N5 O8
Title of publication	Synthesis and Crystal Structure Determination of Some Asymmetrical and Symmetrical CR-Type Macrocyclic Schiff Base Complexes, with a Single Pendant Coordinating 2-Aminoethyl Arm
Authors of publication	Hassan Keypour; Sadegh Salehzadeh; Robin G. Pritchard; R. V. Parish
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	5787 - 5790
a	7.9871 ± 0.001 Å
b	18.882 ± 0.003 Å
c	15.185 ± 0.003 Å
α	90°
β	96.4 ± 0.02°
γ	90°
Cell volume	2275.8 ± 0.6 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.1426
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.1635
Weighted residual factors for all reflections included in the refinement	0.1944
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179319 (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 4/32/16.	4321658.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321658.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321658.cif
19422	2011-05-09	../uploads/cif-deposit/cod/cif Adding structures of 4321658 via cif-deposit CGI script.	4321658.cif