Crystallography Open Database

Information card for entry 1514815

Preview

Coordinates	1514815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 Fe N3
Calculated formula	C25 H21 Fe N3
SMILES	[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]8([cH]7[cH]6[cH]51)c1ccc(cc1)Cn1nnc(c1)c1ccccc1
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	11.3194 ± 0.0006 Å
b	5.7682 ± 0.0003 Å
c	14.8959 ± 0.0008 Å
α	90°
β	94.364 ± 0.004°
γ	90°
Cell volume	969.77 ± 0.09 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1815
Weighted residual factors for all reflections included in the refinement	0.1999
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1514815.cif
110272	2014-04-18	cif/ Adding structures of 1514814, 1514815, 1514816 via cif-deposit CGI script.	1514815.cif