Crystallography Open Database

Information card for entry 8102591

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Coordinates	8102591.cif

Structure parameters

Formula	C2 H2 Cl2 N2 Pb S2
Calculated formula	C2 H2 Cl2 N2 Pb S2
Title of publication	Crystal structure of catena-poly[(1,3,4-thiadiazolium-2-thiolato)lead(II) dichloride], Pb(C2H2N2S2)Cl2
Authors of publication	Pu-Zhou Hu; Jian-Hua Qin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	705
a	4.1116 ± 0.0006 Å
b	8.4365 ± 0.0013 Å
c	22.272 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	772.56 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0522
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	8102591.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.	8102591.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102591.cif
13330	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102591 via cif-deposit CGI script.	8102591.cif