Crystallography Open Database

Information card for entry 8102523

Preview

Coordinates	8102523.cif

Structure parameters

Chemical name	dicholoro-(3,5-dimethyl-1H-pyrazole-1-carboxamidine-N,N')-copper(II)
Formula	C6 H10 Cl2 Cu N4
Calculated formula	C6 H10 Cl2 Cu N4
SMILES	[Cu]1(Cl)(Cl)[n]2n(C(=[NH]1)N)c(C)cc2C
Title of publication	Crystal structure of dicholoro-(3,5-dimethyl-1H-pyrazole-1-carboxamidine-N,N')copper(II), Cu(C6H10N4)Cl2
Authors of publication	Željko K. Jaćimović; Vukadin M. Leovac; Djordje D. Francuski; Bojana M. Draškovic; Goran A. Bogdanovic
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	569 - 570
a	7.316 ± 0.002 Å
b	16.002 ± 0.002 Å
c	9.202 ± 0.006 Å
α	90°
β	113.15 ± 0.02°
γ	90°
Cell volume	990.5 ± 0.7 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	0.1165
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1249
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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.	8102523.cif
101896	2014-02-19	cif/8/10/25/ Fixing bibliography for structure 8102523.	8102523.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102523.cif
13262	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102523 via cif-deposit CGI script.	8102523.cif