Crystallography Open Database

Information card for entry 8105356

Preview

Coordinates	8105356.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Crystal structure of bis(3-chlorosalicylidene)-ethylenediaminato)-Nickel (II), C~16~H~12~Cl~2~NiN~2~O~2~
Formula	C16 H12 Cl2 N2 Ni O2
Calculated formula	C16 H12 Cl2 N2 Ni O2
SMILES	[Ni]123Oc4c(Cl)cccc4C=[N]2CC[N]3=Cc2cccc(c2O1)Cl
Title of publication	Crystal structure of bis((3-chlorosalicylidene)-ethylenediaminato-κ4N,N′,O,O′)nickel (II), C16H12Cl2NiN2O2
Authors of publication	Xiao, Jianchang; Zhou, Cun; Tan, Hui; Huang, Meifen; Wu, Qiong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	4
Pages of publication	995 - 996
a	12.5166 ± 0.0012 Å
b	12.5881 ± 0.0014 Å
c	19.0086 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2995 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0871
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
275872 (current)	2022-06-07	cif/ Adding structures of 8105356 via cif-deposit CGI script.	8105356.cif