Crystallography Open Database

Information card for entry 7241503

Preview

Coordinates	7241503.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	work
Formula	C14 H18 N4 O2
Calculated formula	C14 H18 N4 O2
Title of publication	Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism
Authors of publication	Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	2
Pages of publication	317 - 323
a	16.748 ± 0.007 Å
b	9.455 ± 0.004 Å
c	4.562 ± 0.002 Å
α	90°
β	100.666 ± 0.008°
γ	90°
Cell volume	709.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
261622 (current)	2021-02-05	cif/ Updating files of 7241502, 7241503, 7241504, 7241505 Original log message: Adding full bibliography for 7241502--7241505.cif.	7241503.cif
259300	2020-11-29	cif/ Adding structures of 7241502, 7241503, 7241504, 7241505 via cif-deposit CGI script.	7241503.cif