Crystallography Open Database

Information card for entry 4109858

Preview

Coordinates	4109858.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 5
Formula	C78 H92 Cd2
Calculated formula	C78 H96 Cd2
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	15.243 ± 0.0009 Å
b	17.3351 ± 0.0011 Å
c	15.0018 ± 0.0009 Å
α	90°
β	120.534 ± 0.001°
γ	90°
Cell volume	3414.4 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	4109858.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109858.cif
58636	2012-05-29	cif/ Adding structures of 4109858 via cif-deposit CGI script.	4109858.cif