Crystallography Open Database

Information card for entry 4328438

Preview

Coordinates	4328438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H92 Fe4 N4 S4 Si8
Calculated formula	C48 H92 Fe4 N4 S4 Si8
SMILES	C[Si](C)(N([Fe]12[N]([Fe]32([S]1c1ccccc1)[S](c1ccccc1)[Fe]12([N]([Fe]2(N([Si](C)(C)C)[Si](C)(C)C)[S]1c1ccccc1)([Si](C)(C)C)[Si](C)(C)C)[S]3c1ccccc1)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C
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	9.3519 ± 0.0014 Å
b	12.756 ± 0.002 Å
c	14.818 ± 0.002 Å
α	82.532 ± 0.006°
β	78.884 ± 0.005°
γ	81.637 ± 0.005°
Cell volume	1706.6 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	4328438.cif
77404	2013-03-26	cif/ Adding structures of 4328438 via cif-deposit CGI script.	4328438.cif