Crystallography Open Database

Information card for entry 4509392

Preview

Coordinates	4509392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H20 F4 N2 O4
Calculated formula	C40 H22 N4 O4
SMILES	c12c3cccc1ccc1c2c(ccc1)cc3.c12ccc3c4c1c(ccc4C(=O)N(C3=O)c1ccncc1)C(=O)N(C2=O)c1ccncc1
Title of publication	Selective Deposition of Metal Complex Nanocrystals onto the Surfaces of Organic Single Crystals Bearing Pyridine Moieties
Authors of publication	Fujiki, Yuzo; Shinkai, Seiji; Sada, Kazuki
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	6
Pages of publication	2751
a	7.9341 ± 0.001 Å
b	9.1661 ± 0.0011 Å
c	10.3306 ± 0.0013 Å
α	89.439 ± 0.003°
β	88.443 ± 0.003°
γ	72.669 ± 0.003°
Cell volume	716.92 ± 0.15 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	0.601
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
179629 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/93.	4509392.cif
97256	2014-01-29	cif/ Adding structures of 4509392 via cif-deposit CGI script.	4509392.cif