Crystallography Open Database

Information card for entry 7205679

7205678 << 7205679 >> 7205680

Preview

Coordinates	7205679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Cl6 Cu N2
Calculated formula	C10 H10 Cl6 Cu N2
SMILES	[Cu](Cl)(Cl)([Cl-])[Cl-].[nH+]1ccc(Cl)cc1.[nH+]1ccc(Cl)cc1
Title of publication	Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions
Authors of publication	Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	9
Pages of publication	3189
a	7.578 ± 0.0015 Å
b	27.411 ± 0.006 Å
c	8.7224 ± 0.0017 Å
α	90°
β	115.57 ± 0.03°
γ	90°
Cell volume	1634.4 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
180387 (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 7/20/56.	7205679.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205679.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205679.cif
20987	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205677, 7205678, 7205679, 7205680 via cif-deposit CGI script.	7205679.cif