Crystallography Open Database

Information card for entry 4326801

Preview

Coordinates	4326801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H39 Fe Mo2 O6 P S
Calculated formula	C34 H39 Fe Mo2 O6 P S
Title of publication	A Thiophosphinidene Complex as a Vehicle in Phosphinidene Transmetalation: Easy Formation and Cleavage of a P-S Bond
Authors of publication	Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Miguel A. Ruiz
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10561 - 10563
a	10.116 ± 0.0004 Å
b	10.9552 ± 0.0004 Å
c	15.9379 ± 0.0005 Å
α	77.456 ± 0.002°
β	83.659 ± 0.002°
γ	89.924 ± 0.003°
Cell volume	1713.11 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0214
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0498
Weighted residual factors for all reflections included in the refinement	0.051
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation probe	x-ray
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
179371 (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 4/32/68.	4326801.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326801.cif
49575	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326801 via cif-deposit CGI script.	4326801.cif