Crystallography Open Database

Information card for entry 8105069

Preview

Coordinates	8105069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H84 Cd3 N6 O12 P6 S12
Calculated formula	C54 H84 Cd3 N6 O12 P6 S12
Title of publication	The pseudosymmetric low temperature polymorph of catena-poly[(μ2-4,4′-bipyridyl-κN,N′)-bis(O,O′-diethyldithiophosphato-κS)-cadmium(II)], {C18H28CdN2O4P2S4}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	235
Journal issue	1
Pages of publication	239 - 242
a	10.3735 ± 0.0001 Å
b	15.2066 ± 0.0002 Å
c	26.5231 ± 0.0002 Å
α	85.178 ± 0.001°
β	81.311 ± 0.001°
γ	71.541 ± 0.001°
Cell volume	3920.17 ± 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	0.0227
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0556
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
274683 (current)	2022-04-26	cif/ Adding structures of 8105069 via cif-deposit CGI script.	8105069.cif