Crystallography Open Database

Information card for entry 4315347

Preview

Coordinates	4315347.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SiP3(dmpe)FeClCl
Formula	C16 H43 Cl2 Fe P5 Si
Calculated formula	C16 H43 Cl2 Fe P5 Si
Title of publication	Synthesis and Characterization of Pentaphosphino Zero-Valent Iron Complexes and Their Corresponding Iron(II)-Chloride and -Hydride Complexes
Authors of publication	Kristen A. Thoreson; Angela D. Follett; Kristopher McNeill
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	3942 - 3949
a	33.776 ± 0.002 Å
b	9.5076 ± 0.0007 Å
c	18.121 ± 0.001 Å
α	90°
β	115.254 ± 0.001°
γ	90°
Cell volume	5263 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0429
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.068
Weighted residual factors for all reflections included in the refinement	0.0721
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179233 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/53.	4315347.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315347.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315347.cif
8502	2011-02-07	../uploads/cif-deposit/cod/cif Adding structures of 4315347 via cif-deposit CGI script.	4315347.cif