Crystallography Open Database

Information card for entry 4085927

Preview

Coordinates	4085927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 Fe N
Calculated formula	C27 H31 Fe N
SMILES	[Fe]123456([CH]7=[CH]1[CH]2=[CH]3C=CC=C7)([CH]1=[CH]4[CH]5=[CH]6C=CC=C1)C#[N]C12CC3CC(C1)CC(C2)C3
Title of publication	Combinatorial Approach to the Catalytic Hydrosilylation of Styrene Derivatives: Catalyst Systems Composed of Organoiron(0) or (II) Precursors and Isocyanides
Authors of publication	Sunada, Yusuke; Noda, Daisuke; Soejima, Hiroe; Tsutsumi, Hironori; Nagashima, Hideo
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	12
Pages of publication	2896
a	25.542 ± 0.004 Å
b	8.9605 ± 0.0014 Å
c	9.0105 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2062.2 ± 0.5 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
140195 (current)	2015-07-05	cif/ Updating files of 4085927, 4085928 Original log message: Adding full bibliography for 4085927--4085928.cif.	4085927.cif
137763	2015-06-04	cif/ Adding structures of 4085927, 4085928 via cif-deposit CGI script.	4085927.cif