Crystallography Open Database

Information card for entry 1514816

Preview

Coordinates	1514816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Fe
Calculated formula	C24 H18 Fe
SMILES	[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81c1ccc(cc1)C#Cc1ccccc1
Title of publication	On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies
Authors of publication	Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	1
Pages of publication	437
a	21.166 ± 0.004 Å
b	9.936 ± 0.0017 Å
c	8.1878 ± 0.0014 Å
α	90°
β	92.968 ± 0.003°
γ	90°
Cell volume	1719.6 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514816.cif
110272	2014-04-18	cif/ Adding structures of 1514814, 1514815, 1514816 via cif-deposit CGI script.	1514816.cif