Crystallography Open Database

Information card for entry 2234372

Preview

Coordinates	2234372.cif
Structure factors	2234372.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II)]- μ-2,3,5,6-tetrachloroterephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
Formula	C14 H12 Cl4 Co N4 O6
Calculated formula	C14 H12 Cl4 Co N4 O6
SMILES	[Co]([OH2])([OH2])([n]1cc[nH]c1)([n]1cc[nH]c1)(OC(=O)c1c(Cl)c(Cl)c(c(Cl)c1Cl)C(=O)O[Co]([OH2])([OH2])([n]1cc[nH]c1)[n]1cc[nH]c1)OC(=O)c1c(Cl)c(Cl)c(C(=O)[O-])c(Cl)c1Cl
Title of publication	<i>catena</i>-Poly[[diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II)]-μ-2,3,5,6-tetrachloroterephthalato-κ^2^<i>O</i>^1^:<i>O</i>^4^]
Authors of publication	Zheng, Chang-Ge; Zhang, Peng; Li, Ping; Zhang, Pei-Pei
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	4
Pages of publication	m368
a	18.646 ± 0.004 Å
b	12.068 ± 0.002 Å
c	10.741 ± 0.002 Å
α	90°
β	120.76 ± 0.03°
γ	90°
Cell volume	2076.9 ± 0.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.0439
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0781
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181265 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/43.	2234372.cif 2234372.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2234372.cif 2234372.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2234372.cif 2234372.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2234372.cif 2234372.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2234372.cif 2234372.hkl
55645	2012-05-05	cif/ Adding structures of 2234372 via cif-deposit CGI script.	2234372.cif