Crystallography Open Database

Information card for entry 8102505

Preview

Coordinates	8102505.cif

Structure parameters

Formula	C48 H64 Cl2 Hg N12 O8
Calculated formula	C48 H64 Cl2 Hg N12 O8
Title of publication	Crystal structure of tetrakis[2-(4'-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide-N]mercury(II) chloride, Hg(C12H16N3O2)4Cl2
Authors of publication	Yu-Fang Wang; Yong-Hua Zhang; Li-Ya Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	646
a	7.2076 ± 0.001 Å
b	13.84 ± 0.002 Å
c	14.058 ± 0.002 Å
α	88.69 ± 0.002°
β	75.462 ± 0.002°
γ	87.898 ± 0.002°
Cell volume	1356.4 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102505.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102505.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102505.cif
13244	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102505 via cif-deposit CGI script.	8102505.cif