Crystallography Open Database

Information card for entry 7022854

Preview

Coordinates	7022854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H36 Cl3 Co6 N24 S12
Calculated formula	C54 H36 Cl3 Co6 N24 S12
Title of publication	In situ amination and side group effect of multifunctional heterocyclic thione ligand toward discrete and polymeric cluster constructions.
Authors of publication	Hu, Sheng; Yu, Fang-Yong; Zhang, Peng; Lin, Dian-Rong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	21
Pages of publication	7731 - 7740
a	31.8956 ± 0.0006 Å
b	31.8956 ± 0.0006 Å
c	31.8956 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	32448.3 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1512
Weighted residual factors for all reflections included in the refinement	0.1724
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179933 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/28.	7022854.cif
90362	2013-11-17	cif/ Adding structures of 7022852, 7022853, 7022854 via cif-deposit CGI script.	7022854.cif