Crystallography Open Database

Information card for entry 4106259

Preview

Coordinates	4106259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C205 H108 B8 Ba4 Cl6 F144 N8 O21
Calculated formula	C205 H108 B8 Ba4 Cl6 F144 N8 O21
Title of publication	Discrete, Solvent-Free Alkaline-Earth Metal Cations: Metal...Fluorine Interactions and ROP Catalytic Activity
Authors of publication	Yann Sarazin; Bo Liu; Thierry Roisnel; Laurent Maron; Jean-François Carpentier
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	9069 - 9087
a	16.9523 ± 0.0005 Å
b	19.1265 ± 0.0006 Å
c	41.6284 ± 0.0014 Å
α	100.694 ± 0.002°
β	94.116 ± 0.002°
γ	114.585 ± 0.001°
Cell volume	11891.9 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
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
178808 (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 4/10/62.	4106259.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106259.cif
53057	2012-04-17	cif/ Adding structures of 4106259 via cif-deposit CGI script.	4106259.cif