Crystallography Open Database

Information card for entry 1507280

Preview

Coordinates	1507280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H8 F20 N4 Ni
Calculated formula	C44 H8 F20 N4 Ni
SMILES	[Ni]123n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1c(F)c(F)c(F)c(F)c1F)cc2)c1c(F)c(F)c(F)c(F)c1F)cc3)c1c(F)c(F)c(F)c(F)c1F)cc6)c1c(F)c(F)c(F)c(F)c1F
Title of publication	N-confused porphyrin-bearing meso-perfluorophenyl groups: a potential agent that forms stable square-planar complexes with Cu(II) and Ag(III).
Authors of publication	Maeda, Hiromitsu; Osuka, Atsuhiro; Ishikawa, Yuichi; Aritome, Isao; Hisaeda, Yoshio; Furuta, Hiroyuki
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	8
Pages of publication	1293 - 1296
a	19.6856 ± 0.001 Å
b	19.6856 ± 0.001 Å
c	24.831 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	8333.4 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1492
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	1507280.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507280.cif
53786	2012-04-20	cif/ Adding structures of 1507279, 1507280, 1507281, 1507282 via cif-deposit CGI script.	1507280.cif