Crystallography Open Database

Information card for entry 8105073

Preview

Coordinates	8105073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cd Cl2 N4 O2
Calculated formula	C16 H18 Cd Cl2 N4 O2
SMILES	[Cd]12(Cl)(Cl)[O]=C(N[N]2=C(c2[n]1ccnc2CC)C)c1ccc(OC)cc1
Title of publication	Crystal structure of dichlorido-(N′-(1-(3-ethylpyrazin-2-yl)ethylidene)-4-methoxybenzohydrazide-κ3N,N′,O)cadmium(II), C16H18N4O2Cl2Cd
Authors of publication	Duan, Wei-Guo; Guo, Yi-Peng; Lin, Long; Wu, Wei-Na
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	251 - 252
a	9.833 ± 0.002 Å
b	17.404 ± 0.004 Å
c	11.694 ± 0.003 Å
α	90°
β	112.901 ± 0.003°
γ	90°
Cell volume	1843.5 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0319
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0728
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
274687 (current)	2022-04-26	cif/ Adding structures of 8105073 via cif-deposit CGI script.	8105073.cif