Crystallography Open Database

Information card for entry 7216095

Preview

Coordinates	7216095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H18 Cl3 N O Pb S2
Calculated formula	C8 H18 Cl3 N O Pb S2
Title of publication	Inorganic‒organic hybrid materials: construction of the first polymeric channelled halometallate(ii) system
Authors of publication	Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Devillanova, Francesco A.; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	88
Pages of publication	544
a	14.87 ± 0.001 Å
b	25.446 ± 0.001 Å
c	8.275 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3131.1 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0926
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
180491 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/60.	7216095.cif
114339	2014-05-23	cif/ Adding structures of 7216095 via cif-deposit CGI script.	7216095.cif