Crystallography Open Database

Information card for entry 1501623

Preview

Coordinates	1501623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H14 Cl4 Cu N2
Calculated formula	C4 H14 Cl4 Cu N2
SMILES	C(C[NH3+])CC[NH3+].[Cu](Cl)(Cl)([Cl-])[Cl-]
Title of publication	Structures and thermal behavior in the series of two-dimensional molecular composites NH~3~-(CH~2~)~4~-NH~3~ MCl~4~ related to the nature of the metal M. Part 1 : Crystal structure and phase transition in the case M=Cu and Pd.
Authors of publication	Thierry Maris; Georges Bravic; Nguyen Ba Chan; Jean-Michel Leger; Jean-Claude Bissey; Antoine Villesuzanne; Ridha Zouari; Abdelaziz Daoud
Journal of publication	J. Phys. Chem. Solids
Year of publication	1996
Journal volume	57
Pages of publication	1963 - 1975
a	10.419 ± 0.003 Å
b	7.442 ± 0.001 Å
c	7.225 ± 0.005 Å
α	90°
β	93.46 ± 0.04°
γ	90°
Cell volume	559.2 ± 0.4 Å³
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 significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0812
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1501623.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1501623.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501623.cif
27309	2011-09-29	../uploads/cif-deposit/cod/cif Adding structures of 1501622, 1501623 via cif-deposit CGI script.	1501623.cif