Crystallography Open Database

Information card for entry 8102645

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Coordinates	8102645.cif

Structure parameters

Formula	C6 H10 Cl2 Cu N4
Calculated formula	C6 H10 Cl2 Cu N4
Title of publication	Crystal structure of catena-[tetrachloro-bis(1,5-pentamethylene-1H-tetrazole)copper(II)], Cu2Cl4(C6H10N4)2
Authors of publication	Min Hu; Qiang Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	153
a	6.8953 ± 0.0003 Å
b	16.4266 ± 0.0006 Å
c	8.6791 ± 0.0004 Å
α	90°
β	108.814 ± 0.004°
γ	90°
Cell volume	930.53 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0423
Weighted residual factors for all reflections included in the refinement	0.0434
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102645.cif
176728	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.	8102645.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102645.cif
13384	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102645 via cif-deposit CGI script.	8102645.cif