Crystallography Open Database

Information card for entry 4313769

Preview

Coordinates	4313769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cl6 Hg3 N2 S2
Calculated formula	C24 H18 Cl6 Hg3 N2 S2
SMILES	Cl[Hg]Cl.[Hg]1([S]2c3ccccc3Nc3c2cccc3)(Cl)[Cl][Hg]([S]2c3ccccc3Nc3c2cccc3)(Cl)[Cl]1
Title of publication	Formation of A Novel 1D Supramolecule [HgCl2(ptz)]2.HgCl2 (ptz = Phenothiazine): A New Precursor to Submicrometer Hg2Cl2 Rods
Authors of publication	Xuanjun Zhang; Yi Xie; Wentao Yu; Qingrui Zhao; Minhua Jiang; Yupeng Tian
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3734 - 3737
a	7.6754 ± 0.0009 Å
b	8.9193 ± 0.0013 Å
c	11.6438 ± 0.0012 Å
α	83.81 ± 0.01°
β	71.633 ± 0.007°
γ	81.765 ± 0.011°
Cell volume	747.05 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0605
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179202 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/37.	4313769.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313769.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313769.cif
6838	2011-01-12	../uploads/cif-deposit/cod/cif Adding structures of 4313769 via cif-deposit CGI script.	4313769.cif