Crystallography Open Database

Information card for entry 8103345

Preview

Coordinates	8103345.cif

Structure parameters

Chemical name	catena-(μ~2~-5-hydroxy-benzene-1,3-dicarboxylato-O,O^,^)-(μ~2~-1,1^,^-(1,4-butyl)bis(imidazole)) ‒cobalt(II)
Formula	C18 H18 Co N4 O5
Calculated formula	C18 H18 Co N4 O5
Title of publication	Crystal structure of catena-(m2-5-hydroxybenzene-1,3-dicarboxylato)-(m2-1,1'-(1,4-butyl)bis(imidazole))-cobalt(II), Co(C8H4O5)(C10H14N4)
Authors of publication	Rui-Li Fu; Jian-Fang Ma
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2012
Journal volume	227
Journal issue	2
Pages of publication	281
a	9.275 ± 0.005 Å
b	9.751 ± 0.005 Å
c	11.434 ± 0.005 Å
α	72.931 ± 0.005°
β	80.267 ± 0.005°
γ	64.018 ± 0.005°
Cell volume	887.7 ± 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	0.0319
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0721
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	8103345.cif
62106	2012-07-07	cif/ Adding structures of 8103345 via cif-deposit CGI script.	8103345.cif