Crystallography Open Database

Information card for entry 4339481

Preview

Coordinates	4339481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H96 B2 F2 Hg2 N4
Calculated formula	C82 H96 B2 F2 Hg2 N4
Title of publication	Synthesis and properties of a cationic bidentate Lewis acid.
Authors of publication	Lee, Min Hyung; Gabbaï, François P
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	20
Pages of publication	8132 - 8138
a	23.7 ± 0.005 Å
b	11.66 ± 0.002 Å
c	32.091 ± 0.011 Å
α	90°
β	125.81 ± 0.02°
γ	90°
Cell volume	7192 ± 4 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
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	0.0492
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
179497 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/94.	4339481.cif
117347	2014-06-14	cif/ Adding structures of 4339481 via cif-deposit CGI script.	4339481.cif