Crystallography Open Database

Information card for entry 7017206

Preview

Coordinates	7017206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H211 Cl2 Cu8 La2 N12 O75.5 Pd6 S12
Calculated formula	C60 H108 Cl1.99 Cu8 La2 N12 O75.5 Pd6 S12
Title of publication	Self-assembly of d-penicillaminato M(6)M'(8) (M = Ni(ii), Pd(ii), Pt(ii); M' = Cu(i), Ag(i)) clusters and their organization into extended La(iii)M(6)M'(8) supramolecular structures.
Authors of publication	Yoshinari, Nobuto; Konno, Takumi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	45
Pages of publication	12191 - 12200
a	18.198 ± 0.0012 Å
b	18.198 ± 0.0012 Å
c	25.236 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	7237.7 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	9
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7017206.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017206.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017206.cif
31272	2011-12-13	../uploads/cif-deposit/cod/cif Adding structures of 7017206, 7017207, 7017208, 7017209, 7017210, 7017211, 7017212 via cif-deposit CGI script.	7017206.cif