Crystallography Open Database

Information card for entry 4075459

Preview

Coordinates	4075459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H49 Fe2 N Si2
Calculated formula	C26 H49 Fe2 N Si2
SMILES	C[Si](C)(C)[N]1([Fe]23456([c]7([c]2(C)[c]5([c]3([c]47C)C)C)C)[H][Fe]234516[c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[Si](C)(C)C
Title of publication	Reductive N−N Bond Cleavage of Diphenylhydrazine and Azobenzene Induced by Coordinatively Unsaturated Cp*Fe{N(SiMe3)2}
Authors of publication	Ohki, Yasuhiro; Takikawa, Yuko; Hatanaka, Tsubasa; Tatsumi, Kazuyuki
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	13
Pages of publication	3111
a	20.681 ± 0.003 Å
b	22.191 ± 0.003 Å
c	25.607 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	11752 ± 3 Å³
Cell temperature	143.2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for all reflections included in the refinement	0.0466
Goodness-of-fit parameter for all reflections included in the refinement	0.897
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.	4075459.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075459.cif
49251	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075457, 4075458, 4075459 via cif-deposit CGI script.	4075459.cif