Crystallography Open Database

Information card for entry 8102670

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Coordinates	8102670.cif

Structure parameters

Chemical name	lex
Formula	C14 H12 Cl2 Cu N8
Calculated formula	C14 H12 Cl2 Cu N8
SMILES	[Cu](Cl)(Cl)([n]1nnn(c1)c1ccccc1)[n]1nnn(c1)c1ccccc1
Title of publication	Crystal structure of catena-poly[cis-bis(1-phenyltetrazole-kN4)-di(m-chloro)copper(II)], Cu(C7H6N4)2Cl2
Authors of publication	Xiang-Yun Liu; Yan-Hua Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	293
a	7.387 ± 0.005 Å
b	11.544 ± 0.007 Å
c	12.517 ± 0.008 Å
α	98.017 ± 0.007°
β	106.88 ± 0.004°
γ	94.806 ± 0.006°
Cell volume	1002.7 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.129
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.2138
Weighted residual factors for all reflections included in the refinement	0.254
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102670.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102670.cif
13409	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102670 via cif-deposit CGI script.	8102670.cif