Crystallography Open Database

Information card for entry 7210310

Preview

Coordinates	7210310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 Cl4 Cu N2
Calculated formula	C4 H12 Cl4 Cu N2
SMILES	C1[NH2+]CC[NH2+]C1.Cl[Cu](Cl)([Cl-])[Cl-]
Title of publication	A new copper chloride chain by supported hydrogen bonding
Authors of publication	Tuikka, Matti; Kersen, Ülo; Haukka, Matti
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	31
Pages of publication	6177
a	7.6443 ± 0.0004 Å
b	7.6443 ± 0.0004 Å
c	19.1597 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1119.6 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0163
Residual factor for significantly intense reflections	0.0154
Weighted residual factors for significantly intense reflections	0.0366
Weighted residual factors for all reflections included in the refinement	0.0368
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
180434 (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 7/21/03.	7210310.cif
87594	2013-08-27	cif/ Adding structures of 7210308, 7210309, 7210310, 7210311 via cif-deposit CGI script.	7210310.cif