Crystallography Open Database

Information card for entry 7203323

7203322 << 7203323 >> 7203324

Preview

Coordinates	7203323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Cl10 Cu3 N2
Calculated formula	C10 H10 Cl10 Cu3 N2
SMILES	c1c(cc[nH+]c1)Cl.[Cu]12([Cl][Cu]([Cl]1)(Cl)Cl)[Cl][Cu]([Cl]2)(Cl)Cl.c1cc(cc[nH+]1)Cl
Title of publication	Unexpected structural homologies involving hydrogen-bonded and halogen-bonded networks in halopyridinium halometallate salts
Authors of publication	Fiorenzo Zordan; Guillermo Mínguez Espallargas; Lee Brammer
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	5
Pages of publication	425
a	3.8783 ± 0.0009 Å
b	11.217 ± 0.003 Å
c	12.564 ± 0.003 Å
α	103.511 ± 0.004°
β	93.34 ± 0.005°
γ	99.507 ± 0.004°
Cell volume	521.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.1985
Weighted residual factors for all reflections included in the refinement	0.2084
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
180364 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/33.	7203323.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203323.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203323.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203323.cif