Crystallography Open Database

Information card for entry 7034479

Preview

Coordinates	7034479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 Cl2 Fe2 O6 P2 S2
Calculated formula	C32 H26 Cl2 Fe2 O6 P2 S2
Title of publication	Ligand effects on the electrochemical behavior of [Fe2(CO)5(L){μ-(SCH2)2(Ph)P[double bond, length as m-dash]O}] (L = PPh3, P(OEt)3) hydrogenase model complexes.
Authors of publication	Almazahreh, Laith R.; Imhof, Wolfgang; Talarmin, Jean; Schollhammer, Philippe; Görls, Helmar; El-Khateeb, Mohammad; Weigand, Wolfgang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	16
Pages of publication	7177 - 7189
a	68.8713 ± 0.0017 Å
b	13.5987 ± 0.0004 Å
c	22.03 ± 0.0006 Å
α	90°
β	100.563 ± 0.001°
γ	90°
Cell volume	20282.8 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.1202
Residual factor for significantly intense reflections	0.099
Weighted residual factors for significantly intense reflections	0.2294
Weighted residual factors for all reflections included in the refinement	0.2429
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
180050 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/44.	7034479.cif
138648	2015-06-07	cif/ Updating files of 7034479, 7034480 Original log message: Adding full bibliography for 7034479--7034480.cif.	7034479.cif
134173	2015-03-20	cif/ Adding structures of 7034479, 7034480 via cif-deposit CGI script.	7034479.cif