Crystallography Open Database

Information card for entry 8105098

Preview

Coordinates	8105098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H45 N5 O6 P2 S4 Zn
Calculated formula	C28 H45 N5 O6 P2 S4 Zn
Title of publication	Crystal structure of catena-poly{(μ2-N 1,N 2-bis[(pyridin-4-yl)methyl]ethanediamide-κ2 N:N′)-bis(O,O′-di-isopropyldithiophosphato-κ1 S)zinc(II)} — acetonitrile (1/1), C26H42N4O6P2S4Zn⋅C2H3N
Authors of publication	Tan, Yee Seng; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	327 - 329
a	7.7367 ± 0.0001 Å
b	21.5637 ± 0.0001 Å
c	23.1184 ± 0.0002 Å
α	90°
β	99.121 ± 0.001°
γ	90°
Cell volume	3808.12 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0218
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0573
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
274788 (current)	2022-05-02	cif/ Adding structures of 8105098 via cif-deposit CGI script.	8105098.cif