Crystallography Open Database

Information card for entry 7710068

Preview

Coordinates	7710068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H15 Cu Hg I3 N2 S2
Calculated formula	C9 H15 Cu Hg I3 N2 S2
Title of publication	2,2’-Ethylenebis(1,3-dithiane) as polydentate m2-, m4- and m5-assembling ligand for the construction of sulphur-rich Cu(I), Hg(II) and heterometallic Cu(I)/Hg(II) coordination polymers featuring uncommon network architectures
Authors of publication	Viau, Lydie; Knorr, Michael; Knauer, Lena; Brieger, Lukas; Strohman, Carsten
Journal of publication	Dalton Transactions
Year of publication	2022
a	8.3763 ± 0.0008 Å
b	9.3131 ± 0.0008 Å
c	14.2531 ± 0.0009 Å
α	94.414 ± 0.004°
β	102.209 ± 0.004°
γ	113.075 ± 0.004°
Cell volume	983.86 ± 0.15 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0199
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for all reflections included in the refinement	1.145
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274588 (current)	2022-04-20	cif/ Adding structures of 7710052, 7710053, 7710054, 7710055, 7710056, 7710057, 7710058, 7710059, 7710060, 7710061, 7710062, 7710063, 7710064, 7710065, 7710066, 7710067, 7710068, 7710069 via cif-deposit CGI script.	7710068.cif