Crystallography Open Database

Information card for entry 4075670

Preview

Coordinates	4075670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H4 F24 Hg6 O6
Calculated formula	C44 H4 F24 Hg6 O6
Title of publication	Binding of Dienophiles by Macrocyclic Multidentate Lewis Acids. Synthesis and X-ray Crystal Structure Determination of Unusual Complexes of Cyclic Trimeric Perfluoro-o-phenylenemercury withp-Benzoquinone and Maleic Anhydride
Authors of publication	Tikhonova, Irina A.; Dolgushin, Fedor M.; Yakovenko, Andrey A.; Tugashov, Kirill I.; Petrovskii, Pavel V.; Furin, Georgy G.; Shur, Vladimir B.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	14
Pages of publication	3395
a	9.4235 ± 0.0005 Å
b	10.1101 ± 0.0005 Å
c	13.3638 ± 0.0007 Å
α	104.821 ± 0.001°
β	108.918 ± 0.001°
γ	92.554 ± 0.001°
Cell volume	1152.99 ± 0.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
178645 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/56.	4075670.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075670.cif
50610	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075669, 4075670 via cif-deposit CGI script.	4075670.cif