Crystallography Open Database

Information card for entry 4111150

Preview

Coordinates	4111150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H92 Cd2
Calculated formula	C78 H96 Cd2
Title of publication	Synthesis, Structural Characterization, and Spectroscopy of the Cadmium-Cadmium Bonded Molecular Species Ar'CdCdAr' (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2)
Authors of publication	Zhongliang Zhu; Roland C. Fischer; James C. Fettinger; Eric Rivard; Marcin Brynda; Philip P. Power
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	15068 - 15069
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
178882 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/11.	4111150.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111150.cif
60674	2012-06-15	cif/ Adding structures of 4111150 via cif-deposit CGI script.	4111150.cif