Crystallography Open Database

Information card for entry 7047875

Preview

Coordinates	7047875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 Cl Cu N4 O
Calculated formula	C19 H15 Cl Cu N4 O
Title of publication	Investigation of dioxygen activation by copper(ii)-iminate/aminate complexes.
Authors of publication	Papanikolaou, Michael G.; Hadjithoma, Sofia; Chatzikypraiou, Dimitra S.; Papaioannou, Dionysios; Drouza, Chryssoula; Tsipis, Athanassios C.; Miras, Haralampos N.; Keramidas, Anastasios D.; Kabanos, Themistoklis A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	45
Pages of publication	16242 - 16254
a	11.418 ± 0.005 Å
b	14.822 ± 0.007 Å
c	11.554 ± 0.005 Å
α	90°
β	118.16 ± 0.005°
γ	90°
Cell volume	1723.9 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0478
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
229954 (current)	2019-11-17	cif/ Updating files of 7047874, 7047875, 7047876, 7047877 Original log message: Adding full bibliography for 7047874--7047877.cif.	7047875.cif
211599	2018-10-24	cif/ Adding structures of 7047874, 7047875, 7047876, 7047877 via cif-deposit CGI script.	7047875.cif