Crystallography Open Database

Information card for entry 4516920

Preview

Coordinates	4516920.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(racemic-ΔΔ,ΛΛ)-tetrakis(bis(bis((2-pyridylmethylamino)ethanethiolato- N,N',μ~2~-S)zinc(ii))mercury(ii) diperchlorate acetonitrile toluene solvate
Formula	C44.5 H59 Cl2 Hg N9 O8 S4 Zn2
Calculated formula	C44.5 H59 Cl2 Hg N9 O8 S4 Zn2
Title of publication	Metal Substitution and Solvomorphism in Alkylthiolate-Bridged Zn<sub>3</sub> and HgZn<sub>2</sub> Metal Clusters.
Authors of publication	Hallinger, Madeline R.; Gerhard, Alison C.; Ritz, Mikhaila D.; Sacks, Joshua S.; Poutsma, John C.; Pike, Robert D.; Wojtas, Lukasz; Bebout, Deborah C.
Journal of publication	ACS omega
Year of publication	2017
Journal volume	2
Journal issue	10
Pages of publication	6391 - 6404
a	9.59 ± 0.0002 Å
b	17.3124 ± 0.0004 Å
c	18.5657 ± 0.0005 Å
α	109.74 ± 0.001°
β	101.536 ± 0.001°
γ	101.986 ± 0.001°
Cell volume	2713.11 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
239632 (current)	2019-11-24	cif/ Adding structures of 4516917, 4516918, 4516919, 4516920, 4516921, 4516922 via cif-deposit CGI script.	4516920.cif