Crystallography Open Database

Information card for entry 8106913

Preview

Coordinates	8106913.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dichlorido(2-(1-methyl-1<i>H</i>benzo[d]imidazol-2-yl)aniline-κ^2^<i>N</i>, <i>N</i>')zinc(II), C~14~H~13~Cl~2~N~3~Zn
Formula	C14 H13 Cl2 N3 Zn
Calculated formula	C14 H13 Cl2 N3 Zn
SMILES	[Zn]1(Cl)(Cl)[n]2c(c3c(cccc3)[NH2]1)n(c1c2cccc1)C
Title of publication	Crystal structure of dichlorido(2-(1-methyl-1H-benzo[d]imidazol-2-yl)aniline-κ2 N,N′)zinc(II)
Authors of publication	Zhou, Ting-Ting; Zhang, Dong-Mei; Li, Jia-Wen; Zhang, Fan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	477 - 478
a	10.1222 ± 0.0005 Å
b	18.6435 ± 0.001 Å
c	7.619 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1437.81 ± 0.13 Å³
Cell temperature	101.8 K
Ambient diffraction temperature	101.8 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281805 (current)	2023-03-10	cif/ Adding structures of 8106913 via cif-deposit CGI script.	8106913.cif