Crystallography Open Database

Information card for entry 7028443

Preview

Coordinates	7028443.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis[2,3,9,10,16,17,23,24-octa-phenylphthalocyanine] lutetium
Formula	C260 H497 Lu N16 O100.5
Calculated formula	C160 H96 Lu N16 O0.5
Title of publication	Novel near-IR absorbing phenyl-substituted phthalo- and naphthalocyanine complexes of lanthanide(iii): synthesis and spectral and electrochemical properties.
Authors of publication	Dubinina, Tatiana V.; Paramonova, Kseniya V.; Trashin, Stanislav A.; Borisova, Nataliya E.; Tomilova, Larisa G.; Zefirov, Nikolay S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	7
Pages of publication	2799 - 2809
a	31.393 ± 0.001 Å
b	31.393 ± 0.001 Å
c	10.6224 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	10468.6 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	85
Hermann-Mauguin space group symbol	P 4/n
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7028443.cif
105319	2014-03-12	cif/ Adding structures of 7028443 via cif-deposit CGI script.	7028443.cif