Crystallography Open Database

Information card for entry 4337200

Preview

Coordinates	4337200.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[NEt4][Fe(PS3")(NH3)]
Formula	C41 H77 Fe N2 O3 P S3 Si3
Calculated formula	C41 H77 Fe N2 O3 P S3 Si3
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	19.5139 ± 0.0003 Å
b	24.4891 ± 0.0003 Å
c	20.9796 ± 0.0003 Å
α	90°
β	96.4301 ± 0.0006°
γ	90°
Cell volume	9962.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
179475 (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 4/33/72.	4337200.cif
106201	2014-03-15	cif/ Adding structures of 4337198, 4337199, 4337200 via cif-deposit CGI script.	4337200.cif