Crystallography Open Database

Information card for entry 8102644

Preview

Coordinates	8102644.cif

Structure parameters

Common name	[[carboxylate -zinc(II)]-two(μ-1,1'-(1,4-butanediyl)diimidazole)]
Chemical name	[[carboxylate -zinc(II)]-two(μ-1,1'-(1,4-butanediyl)diimidazole)]
Formula	C14 H20 N4 O4 Zn
Calculated formula	C14 H20 N4 O4 Zn
Title of publication	Crystal structure of diacetato-(m-1,1'-(1,4-butanediyl)diimidazole)zinc(II), Zn(CH3CO2)2(C10H14N4)
Authors of publication	Wei-Jie Gong; Jin Yang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	207
a	7.989 ± 0.005 Å
b	8.432 ± 0.005 Å
c	13.819 ± 0.005 Å
α	76.745 ± 0.005°
β	85.845 ± 0.005°
γ	71.046 ± 0.005°
Cell volume	857 ± 0.8 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	0.0734
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	0.864
Diffraction radiation wavelength	0.71069 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.	8102644.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102644.cif
13383	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102644 via cif-deposit CGI script.	8102644.cif