Crystallography Open Database

Information card for entry 8105885

Preview

Coordinates	8105885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 N6 O4 P2 S4 Zn
Calculated formula	C24 H36 N6 O4 P2 S4 Zn
Title of publication	Crystal structure of catena-{poly[bis(O,O′-diethyldithiophosphato-S)-(μ2-1,2-bis(4-pyridylmethylene)hydrazine-N,N′)-zinc(II)] di-acetonitrile solvate}, {C20H30N4O4P2S4Zn ⋅ 2 C2H3N}n
Authors of publication	Tan, Yee Seng; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	5
Pages of publication	895 - 897
a	11.2847 ± 0.0002 Å
b	12.6967 ± 0.0003 Å
c	13.6595 ± 0.0003 Å
α	64.738 ± 0.002°
β	72.181 ± 0.002°
γ	76.681 ± 0.002°
Cell volume	1673.68 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0237
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
278216 (current)	2022-09-27	cif/ Adding structures of 8105885 via cif-deposit CGI script.	8105885.cif