Crystallography Open Database

Information card for entry 7242280

Preview

Coordinates	7242280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Br Fe Hg N O S2
Calculated formula	C14 H16 Br Fe Hg 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	7.4965 ± 0.0003 Å
b	10.9988 ± 0.0004 Å
c	20.2524 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1669.86 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0287
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0537
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation probe	x-ray
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
263736 (current)	2021-04-05	cif/ Updating files of 7242278, 7242279, 7242280 Original log message: Adding full bibliography for 7242278--7242280.cif.	7242280.cif
261987	2021-02-16	cif/ Adding structures of 7242278, 7242279, 7242280 via cif-deposit CGI script.	7242280.cif