Crystallography Open Database

Information card for entry 4067193

Preview

Coordinates	4067193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H39 Fe P Si2
Calculated formula	C35 H39 Fe P Si2
SMILES	[Fe]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)([Si](c7ccccc7[Si]1(C)C)(C)C)[c]1([cH]2[cH]3[cH]4[cH]5[cH]61)C
Title of publication	Half-Sandwich (η6-Arene)iron(II) Dinitrogen Complexes Bearing a Disilaferracycle Skeleton as a Precursor for Double Silylation of Ethylene and Alkynes
Authors of publication	Sunada, Yusuke; Imaoka, Tsuyoshi; Nagashima, Hideo
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	23
Pages of publication	6157
a	13.299 ± 0.0019 Å
b	14.608 ± 0.002 Å
c	15.444 ± 0.002 Å
α	90°
β	100.539 ± 0.002°
γ	90°
Cell volume	2949.7 ± 0.7 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4067193.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067193.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067193.cif
34117	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067189, 4067190, 4067191, 4067192, 4067193, 4067194 via cif-deposit CGI script.	4067193.cif