Crystallography Open Database

Information card for entry 7025250

Preview

Coordinates	7025250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H32 N16 Y
Calculated formula	C64 H32 N16 Y
SMILES	[Y]123456(n7c8=Nc9[n]3c(=Nc3n2c(N=c2[n]1c(N=c7c1c8cccc1)c1ccccc21)c1ccccc31)c1ccccc91)n1c2=Nc3[n]6c(=Nc6n5c(N=c5[n]4c(N=c1c1c2cccc1)c1ccccc51)c1ccccc61)c1ccccc31
Title of publication	Surface morphologies, electronic structures, and Kondo effect of lanthanide(III)-phthalocyanine molecules on Au(111) by using STM, STS and FET properties for next generation devices.
Authors of publication	Katoh, Keiichi; Komeda, Tadahiro; Yamashita, Masahiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	20
Pages of publication	4708 - 4723
a	8.835 ± 0.003 Å
b	10.616 ± 0.004 Å
c	50.789 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	4764 ± 3 Å³
Cell temperature	93.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.7107 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.	7025250.cif
92905	2014-01-12	cif/ Adding structures of 7025248, 7025249, 7025250 via cif-deposit CGI script.	7025250.cif