Crystallography Open Database

Information card for entry 4322593

Preview

Coordinates	4322593.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Lola3
Formula	C41 H46 Ag4 Cl2 F12 Hg2 O12 S4
Calculated formula	C41 H46 Ag4 Cl2 F12 Hg2 O12 S4
SMILES	[Ag]123[C]4(=C(C=C(C=C4C)C)C)[Hg][C]4(=C(C=C(C=C4C)C)C)[Ag]45[O](S(=O)(=O)C(F)(F)F)[Ag]67[C]8(=C(C=C(C=[C]8C)C)C)[Hg][C]8(=C(C=C(C=C8C)C)C)[Ag]([O]=S(C(F)(F)F)(O2)=O)([O]3S(C(F)(F)F)(=[O]4)=[O]6)[O]=S(C(F)(F)F)([O]57)=[O]1.C(Cl)Cl
Title of publication	Hexanuclear Mercury-Silver Complexes. Novel Coordination for Bridging Mesityl and Triflate Groups
Authors of publication	M. Laguna; M. D. Villacampa; M. Contel; J. Garrido
Journal of publication	Inorganic Chemistry
Year of publication	1998
Journal volume	37
Pages of publication	133 - 135
a	11.54 ± 0.002 Å
b	12.299 ± 0.003 Å
c	20.885 ± 0.005 Å
α	102.78 ± 0.02°
β	101.38 ± 0.01°
γ	92.38 ± 0.02°
Cell volume	2822.7 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0944
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for all reflections	0.0877
Weighted residual factors for significantly intense reflections	0.0727
Goodness-of-fit parameter for all reflections	1
Goodness-of-fit parameter for significantly intense reflections	1.062
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
179328 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/25.	4322593.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4322593.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322593.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322593.cif
21455	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 4322593 via cif-deposit CGI script.	4322593.cif