Crystallography Open Database

Information card for entry 8107594

Preview

Coordinates	8107594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 Cd Cl2 N5
Calculated formula	C13 H15 Cd Cl2 N5
Title of publication	Crystal structure of poly[chlorido-μ2-chlorido-(μ2-1-[(2-ethyl-4-methyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole-κN:N’)cadmium(II)], C13H15CdN5Cl2
Authors of publication	Du, Jun-Ya; Zhou, Tan-peng; Yang, Jing; Wang, Xia
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	5
Pages of publication	895 - 897
a	11.5514 ± 0.0004 Å
b	16.7843 ± 0.0005 Å
c	8.9691 ± 0.0003 Å
α	90°
β	101.927 ± 0.003°
γ	90°
Cell volume	1701.41 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
286896 (current)	2023-10-11	cif/ Adding structures of 8107594 via cif-deposit CGI script.	8107594.cif