Crystallography Open Database

Information card for entry 7703843

Preview

Coordinates	7703843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H84 Cu4 N4 O13
Calculated formula	C56 H84 Cu4 N4 O13
Title of publication	Phenoxazinone synthase-like catalytic activity of novel mono- and tetranuclear copper(ii) complexes with 2-benzylaminoethanol.
Authors of publication	Nesterova, Oksana V.; Bondarenko, Olena E.; Pombeiro, Armando J. L.; Nesterov, Dmytro S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	15
Pages of publication	4710 - 4724
a	17.161 ± 0.005 Å
b	18.613 ± 0.005 Å
c	19.954 ± 0.006 Å
α	87.895 ± 0.01°
β	84.097 ± 0.01°
γ	83.089 ± 0.01°
Cell volume	6292 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.114
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1733
Weighted residual factors for all reflections included in the refinement	0.2002
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
251654 (current)	2020-05-05	cif/ Updating files of 7703840, 7703841, 7703842, 7703843 Original log message: Adding full bibliography for 7703840--7703843.cif.	7703843.cif
249691	2020-03-25	cif/ Adding structures of 7703840, 7703841, 7703842, 7703843 via cif-deposit CGI script.	7703843.cif