Crystallography Open Database

Information card for entry 2312387

Preview

Coordinates	2312387.cif
Structure factors	2312387.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>cyclo</i>-Tetrabromido-1κ^2^<i>Br</i>,3κ^2^<i>Br</i>-tetrakis(μ~2~-2-{[(pyridin-2-yl)methyl]amino}ethane-1-thiolato-κ^3^<i>N</i>,<i>S</i>:<i>S</i>)tetramercury(II)
Formula	C32 H44 Br4 Hg4 N8 S4
Calculated formula	C32 H44 Br4 Hg4 N8 S4
Title of publication	Crystal structure and Hirshfeld surface analysis of <i>cyclo</i>-tetra-bromido-1κ<sup>2</sup><i>Br</i>,3κ<sup>2</sup><i>Br</i>-tetra-kis-(μ<sub>2</sub>-2-{[(pyridin-2-yl)meth-yl]amino}-ethane-1-thiol-ato-κ<sup>3</sup><i>N</i>,<i>S</i>:<i>S</i>)tetra-mercury(II).
Authors of publication	Thomas, Isla D.; Kocher, Kathryn R.; Viehweg, Julie A.; Pike, Robert D.; Bebout, Deborah C.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2023
Journal volume	79
Journal issue	Pt 10
Pages of publication	952 - 957
a	12.3055 ± 0.0008 Å
b	12.1464 ± 0.0008 Å
c	14.9763 ± 0.0009 Å
α	90°
β	99.509 ± 0.001°
γ	90°
Cell volume	2207.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0183
Residual factor for significantly intense reflections	0.0159
Weighted residual factors for significantly intense reflections	0.0335
Weighted residual factors for all reflections included in the refinement	0.0341
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
289230 (current)	2024-01-31	cif/ hkl/ Adding structures of 2312387 via cif-deposit CGI script.	2312387.cif 2312387.hkl