Crystallography Open Database

Information card for entry 4337199

Preview

Coordinates	4337199.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe(PS3")(N2H4)][NBu4]
Formula	C53 H106 Fe N3 O5 P S3 Si3
Calculated formula	C53 H106 Fe N3 O5 P S3 Si3
SMILES	[Fe]123(Sc4c([P]3(c3c(S1)c([Si](C)(C)C)ccc3)c1c(S2)c([Si](C)(C)C)ccc1)cccc4[Si](C)(C)C)[NH2]N.[N+](CCCC)(CCCC)(CCCC)CCCC.OCC.OCC.OCC.OCC.OCC
Title of publication	Catalytic Reduction of Hydrazine to Ammonia by a Mononuclear Iron(II) Complex on a Tris(thiolato)phosphine Platform.
Authors of publication	Chang, Ya-Ho; Chan, Pooi-Mun; Tsai, Yi-Fang; Lee, Gene-Hsiang; Hsu, Hua-Fen
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	664 - 666
a	14.8275 ± 0.0007 Å
b	25.9245 ± 0.0011 Å
c	17.1163 ± 0.0007 Å
α	90°
β	97.986 ± 0.002°
γ	90°
Cell volume	6515.6 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1323
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179474 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/71.	4337199.cif
106201	2014-03-15	cif/ Adding structures of 4337198, 4337199, 4337200 via cif-deposit CGI script.	4337199.cif