Crystallography Open Database

Information card for entry 4504207

Preview

Coordinates	4504207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 Cl3 Co N3 S
Calculated formula	C10 H12 Cl3 Co N3 S
SMILES	Cc1c(c(C)[nH][n]1[Co](Cl)(Cl)Cl)[S]=c1cc[nH]cc1
Title of publication	Cobalt(II), Copper(II), and Zinc(II) Framework Systems Derived from Ditopic Pyridyl-Acetylacetone and Pyridyl-Pyrazole Ligands
Authors of publication	Won, Tae-Jin; Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	5
Pages of publication	972
a	7.389 ± 0.0008 Å
b	9.904 ± 0.001 Å
c	20.499 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1500.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0231
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0519
Weighted residual factors for all reflections included in the refinement	0.0521
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4504207.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504207.cif
44972	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504203, 4504204, 4504205, 4504206, 4504207, 4504208 via cif-deposit CGI script.	4504207.cif