Crystallography Open Database

Information card for entry 4109857

Preview

Coordinates	4109857.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 3
Formula	C30 H37 Hg I
Calculated formula	C30 H37 Hg I
SMILES	c1(c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Hg]I
Title of publication	Synthesis and Characterization of the Homologous M-M Bonded Series Ar'MMAr' (M = Zn, Cd, or Hg; Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) and Related Arylmetal Halides and Hydride Species
Authors of publication	Zhongliang Zhu; Marcin Brynda; Robert J. Wright; Roland C. Fischer; W. Alexander Merrill; Eric Rivard; Robert Wolf; James C. Fettinger; Marilyn M. Olmstead; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	10847 - 10857
a	16.7028 ± 0.0018 Å
b	20.891 ± 0.002 Å
c	7.9572 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2776.6 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
178844 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/98.	4109857.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109857.cif
58635	2012-05-29	cif/ Adding structures of 4109857 via cif-deposit CGI script.	4109857.cif