Crystallography Open Database

Information card for entry 1565164

Preview

Coordinates	1565164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H33 Cd Cl2 N4 O2.5
Calculated formula	C22 H30 Cd Cl2 N4 O2
Title of publication	Dimeric metallacycles and coordination polymers: Zn(II), Cd(II) and Hg(II) complexes of two positional isomers of a flexible N,O-hybrid bispyrazole derived ligand
Authors of publication	Soldevila-Sanmartín, Joan; Guerrero, Miguel; Choquesillo-Lazarte, Duane; Giner Planas, José; Pons, Josefina
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	506
Pages of publication	119549
a	11.1004 ± 0.0003 Å
b	12.9995 ± 0.0003 Å
c	18.6202 ± 0.0005 Å
α	90°
β	101.285 ± 0.001°
γ	90°
Cell volume	2634.94 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0589
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1695
Weighted residual factors for all reflections included in the refinement	0.1799
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
270567 (current)	2021-11-10	cif/ Adding structures of 1565164 via cif-deposit CGI script.	1565164.cif