Crystallography Open Database

Information card for entry 4325443

Preview

Coordinates	4325443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.5 H25 Cl Hg2 I4 O0.5 S4 n
Calculated formula	C19.5 H25 Cl Hg2 I4 N O0.5 S4
Title of publication	Rational Approach to Endo/Exocoordinated Heteronuclear Macrocyclic network: Supramolecular Hg(ll), Cu(ll), and Hg(ll)/Cu(ll) Complexes of a NS4 Macrocycle
Authors of publication	Eunji Lee; Shim Sung Lee
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5803 - 5807
a	13.689 ± 0.003 Å
b	16.969 ± 0.004 Å
c	14.974 ± 0.004 Å
α	90°
β	104.056 ± 0.011°
γ	90°
Cell volume	3374.1 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325443.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325443.cif
44513	2012-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4325443 via cif-deposit CGI script.	4325443.cif