Crystallography Open Database

Information card for entry 8105068

Preview

Coordinates	8105068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H112 N8 O16 P8 S16 Zn4
Calculated formula	C72 H112 N8 O16 P8 S16 Zn4
Title of publication	Crystal structure of a low-temperature (100 K) polymorph of catena-poly[(μ2-4,4′-bipyridine-κ2N,N′)-bis(O,O′-diethyldithiophosphato-κ1S)zinc(II)], C18H28N2O4P2S4Zn
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	235
Journal issue	1
Pages of publication	233 - 237
a	15.2379 ± 0.0001 Å
b	17.3322 ± 0.0002 Å
c	21.8829 ± 0.0001 Å
α	75.919 ± 0.001°
β	78.05 ± 0.001°
γ	68.17 ± 0.001°
Cell volume	5159.97 ± 0.08 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	0.0262
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
274682 (current)	2022-04-26	cif/ Adding structures of 8105068 via cif-deposit CGI script.	8105068.cif