Crystallography Open Database

Information card for entry 1559428

Preview

Coordinates	1559428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N3 Ni O3
Calculated formula	C20 H15 N2.999 Ni O2.998
Title of publication	Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials
Authors of publication	Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik
Journal of publication	IUCrJ
Year of publication	2020
Journal volume	7
Journal issue	6
a	14.8584 ± 0.0003 Å
b	14.8584 ± 0.0003 Å
c	29.828 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6585.2 ± 0.3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for significantly intense reflections	2.47
Goodness-of-fit parameter for all reflections included in the refinement	2.39
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258644 (current)	2020-10-30	cif/ Adding structures of 1559421, 1559422, 1559423, 1559424, 1559425, 1559426, 1559427, 1559428, 1559429, 1559430, 1559431, 1559432 via cif-deposit CGI script.	1559428.cif