Crystallography Open Database

Information card for entry 7224987

Preview

Coordinates	7224987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Fe
Calculated formula	C26 H22 Fe
SMILES	[Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)c1cc(ccc1)C=C)[c]1([cH]5[cH]6[cH]7[cH]81)c1cc(ccc1)C=C
Title of publication	An efficient catalytic synthesis and characterization of new styryl-ferrocenes and their trans-π-conjugated organosilicon materials
Authors of publication	Majchrzak, M.; Kostera, S.; Grzelak, M.; Marciniec, B.; Kubicki, M.
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	46
Pages of publication	39947
a	8.154 ± 0.002 Å
b	10.448 ± 0.002 Å
c	21.731 ± 0.004 Å
α	90°
β	93.37 ± 0.02°
γ	90°
Cell volume	1848.1 ± 0.7 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	0.91
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
182252 (current)	2016-04-22	cif/ Adding structures of 7224987 via cif-deposit CGI script.	7224987.cif