Crystallography Open Database

Information card for entry 4332715

Preview

Coordinates	4332715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 Fe2 N2
Calculated formula	C32 H40 Fe2 N2
SMILES	c1(ccccc1)N1[Fe]23456([c]7([c]3([c]2([c]5([c]47C)C)C)C)C)N(c2ccccc2)[Fe]234516[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Diiron Amido−Imido Complex [(Cp*Fe)2(μ2-NHPh)(μ2-NPh)]: Synthesis and a Net Hydrogen Atom Abstraction Reaction To Form a Bis(imido) Complex
Authors of publication	Takemoto, Shin; Ogura, Shin-ichiro; Yo, Ho; Hosokoshi, Yuko; Kamikawa, Ken; Matsuzaka, Hiroyuki
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	13
Pages of publication	4871 - 4873
a	17.918 ± 0.006 Å
b	11.82 ± 0.003 Å
c	13.751 ± 0.003 Å
α	90°
β	93.07 ± 0.02°
γ	90°
Cell volume	2908.2 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0593
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179430 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/27.	4332715.cif
98500	2014-01-30	cif/ Adding structures of 4332714, 4332715 via cif-deposit CGI script.	4332715.cif