Crystallography Open Database

Information card for entry 7027459

Preview

Coordinates	7027459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H38 Cl2 Cu N6 O8
Calculated formula	C20 H38 Cl2 Cu N6 O8
Title of publication	Copper(II) complexes of tetraaza macrocycles bearing pendant arms: syntheses, structures and properties
Authors of publication	Aneetha, Halikhedkar; Lai, Ying-Huang; Lin, Shih-Chi; Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chung, Chung-Sun
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	16
Pages of publication	2885
a	9.2539 ± 0.0001 Å
b	12.7198 ± 0.0001 Å
c	11.8658 ± 0.0002 Å
α	90°
β	103.187 ± 0.001°
γ	90°
Cell volume	1359.87 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0415
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7027459.cif
179980	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/74.	7027459.cif
95393	2014-01-28	cif/ Adding structures of 7027457, 7027458, 7027459, 7027460 via cif-deposit CGI script.	7027459.cif