Crystallography Open Database

Information card for entry 2021592

2021591 << 2021592 >> 2021593

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Structure parameters

Chemical name	Bis[μ-(<i>E</i>)-2-({[3-(diethylamino)propyl]imino}methyl)phenolato]-κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>,<i>N</i>',<i>O</i>-(μ-2-methylbenzoato-κ^2^<i>O</i>:<i>O</i>')copper(II) perchlorate
Formula	C32 H41 Cl Cu2 N4 O8
Calculated formula	C32 H41 Cl Cu2 N4 O8
Title of publication	The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase
Authors of publication	Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J.
Journal of publication	Acta Crystallographica Section C
Year of publication	2019
Journal volume	75
Journal issue	5
Pages of publication	538 - 544
a	10.51085 ± 0.00016 Å
b	22.2419 ± 0.0005 Å
c	28.8403 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6742.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.12
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
215664 (current)	2019-06-03	cif/ Updating files of 2021590, 2021591, 2021592 Original log message: Adding full bibliography for 2021590--2021592.cif.	2021592.cif 2021592.hkl
214610	2019-04-12	cif/ hkl/ Adding structures of 2021590, 2021591, 2021592 via cif-deposit CGI script.	2021592.cif 2021592.hkl