Crystallography Open Database

Information card for entry 8102571

Preview

Coordinates	8102571.cif

Structure parameters

Common name	Poly{bis[(oxalate-<i>K^2^O:O</i>')-<i>μ</i>-1,1'-(1,6-hexanediyl) bis(imidazole)-<i>K^2^N:N</i>']cobalt(II)} hemihydrate
Chemical name	Poly{bis[(oxalate-<i>K^2^O:O</i>')-<i>μ</i>-1,1'-(1,6-hexanediyl) bis(imidazole)-<i>K^2^N:N</i>']cobalt(II)} hemihydrate
Formula	C14 H19 Co N4 O4.5
Calculated formula	C14 H18 Co N4 O4.5
Title of publication	Crystal structure of (oxalato-k2O:O')-[m-1,1'-(1,6-hexanediyl)bis(imidazole)-k2N:N']cobalt(II) hemihydrate, Co(C2O4)(C12H18N4) · 0.5H2O
Authors of publication	Lai-Ping Zhang; Dao-Cheng Xia; Jian-Fang Ma
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	663
a	12.653 ± 0.006 Å
b	13.888 ± 0.006 Å
c	9.403 ± 0.006 Å
α	90°
β	100.49 ± 0.03°
γ	90°
Cell volume	1624.7 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8102571.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102571.cif
13310	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102571 via cif-deposit CGI script.	8102571.cif