Crystallography Open Database

Information card for entry 7009498

Preview

Coordinates	7009498.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C6F4Hg2Cl2-THF-0.5benzene
Formula	C13 H11 Cl2 F4 Hg2 O
Calculated formula	C13 H11 Cl2 F4 Hg2 O
Title of publication	Interaction of benzene and 1,2-bis(chloromercurio)tetrafluorobenzene. Supramolecular frameworks based on Hg · · · Cl, Hg · · · F, Hg · · · π and π‒π interactions
Authors of publication	Gardinier, James R.; Gabbaï, François P.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	16
Pages of publication	2861
a	29.042 ± 0.002 Å
b	7.1266 ± 0.0006 Å
c	20.5464 ± 0.0017 Å
α	90°
β	124.922 ± 0.001°
γ	90°
Cell volume	3486.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1377
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
179798 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/94.	7009498.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009498.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009498.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009498.cif