Crystallography Open Database

Information card for entry 8105846

Preview

Coordinates	8105846.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dichlorido(pyridine-κ<i>N</i>)(2,4,6-tri-2-pyridyl-1,3,5-triazine- κ^3^N^2^,N^1^,N^6^)nickel(II)
Formula	C23 H17 Cl2 N7 Ni
Calculated formula	C23 H17 Cl2 N7 Ni
SMILES	[Ni]12(Cl)(Cl)([n]3c(nc(nc3c3[n]2cccc3)c2ncccc2)c2[n]1cccc2)[n]1ccccc1
Title of publication	Crystal structure of dichlorido(pyridine-κN)(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ3 N 2,N 1,N 6)nickel(II), C23H17Cl2N7Ni
Authors of publication	Ha, Kwang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	4
Pages of publication	775 - 776
a	12.5392 ± 0.0005 Å
b	11.5655 ± 0.0006 Å
c	15.5085 ± 0.0008 Å
α	90°
β	102.463 ± 0.0017°
γ	90°
Cell volume	2196.07 ± 0.18 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0596
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
278111 (current)	2022-09-23	cif/ Adding structures of 8105846 via cif-deposit CGI script.	8105846.cif