Crystallography Open Database

Information card for entry 4328437

Preview

Coordinates	4328437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 S2
Calculated formula	C36 H26 S2
SMILES	S(Sc1c(cccc1c1ccccc1)c1ccccc1)c1c(cccc1c1ccccc1)c1ccccc1
Title of publication	Oxido-Bridged Di-, Tri-, and Tetra-Nuclear Iron Complexes Bearing Bis(trimethylsilyl)amide and Thiolate Ligands
Authors of publication	Shun Ohta; Saori Yokozawa; Yasuhiro Ohki; Kazuyuki Tatsumi
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2645 - 2651
a	17.587 ± 0.003 Å
b	13.356 ± 0.003 Å
c	23.862 ± 0.005 Å
α	90°
β	103.347 ± 0.003°
γ	90°
Cell volume	5453.6 ± 1.9 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328437.cif
77403	2013-03-26	cif/ Adding structures of 4328437 via cif-deposit CGI script.	4328437.cif