Crystallography Open Database

Information card for entry 7025390

Preview

Coordinates	7025390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H74 Cl4 Hg5 N12 O16 S6
Calculated formula	C55 H66 Cl4 Hg5 N12 O16 S6
Title of publication	A synthetic model of Hg(II) sequestration.
Authors of publication	Viehweg, Julie A.; Stamps, Sarah M.; Dertinger, Jennifer J.; Green, Robert L.; Harris, Katherine E.; Butcher, Raymond J.; Andriole, Erica J.; Poutsma, J. C.; Berry, Steven M.; Bebout, Deborah C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	13
Pages of publication	3174 - 3176
a	13.772 ± 0.004 Å
b	11.538 ± 0.003 Å
c	23.107 ± 0.007 Å
α	90°
β	94.385 ± 0.005°
γ	90°
Cell volume	3661 ± 1.8 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0478
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for all reflections included in the refinement	0.833
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
179959 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/53.	7025390.cif
93014	2014-01-12	cif/ Adding structures of 7025390 via cif-deposit CGI script.	7025390.cif