Crystallography Open Database

Information card for entry 7242279

Preview

Coordinates	7242279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Fe Hg I N O S2
Calculated formula	C14 H16 Fe Hg I N O S2
Title of publication	Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies
Authors of publication	Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	12
Pages of publication	2414 - 2423
a	11.8081 ± 0.0002 Å
b	7.406 ± 0.0001 Å
c	19.7888 ± 0.0003 Å
α	90°
β	97.731 ± 0.002°
γ	90°
Cell volume	1714.82 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	8
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	0.0504
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
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
263736 (current)	2021-04-05	cif/ Updating files of 7242278, 7242279, 7242280 Original log message: Adding full bibliography for 7242278--7242280.cif.	7242279.cif
261987	2021-02-16	cif/ Adding structures of 7242278, 7242279, 7242280 via cif-deposit CGI script.	7242279.cif