Crystallography Open Database

Information card for entry 4109855

Preview

Coordinates	4109855.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound 1
Formula	C74 H90 I2 Zn2
Calculated formula	C74 H90 I2 Zn2
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	13.9561 ± 0.0004 Å
b	22.5253 ± 0.0006 Å
c	24.9183 ± 0.0006 Å
α	90°
β	121.322 ± 0.003°
γ	90°
Cell volume	6691.8 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
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	0.0583
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4109855.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109855.cif
58633	2012-05-29	cif/ Adding structures of 4109855 via cif-deposit CGI script.	4109855.cif