Crystallography Open Database

Information card for entry 7017054

Preview

Coordinates	7017054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H126 Li7 N21 O Si6 Zn2
Calculated formula	C60 H126 Li7 N21 O Si6 Zn2
Title of publication	Synthesis and structure of cationic guanidinate-bridged bimetallic {Li(7)M} cubes (M = Mn, Co, Zn) with inverse crown counter anions.
Authors of publication	Woodruff, Daniel; Bodensteiner, Michael; Sells, Daniel O.; Winpenny, Richard E. P.; Layfield, Richard A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	41
Pages of publication	10918 - 10923
a	27.786 ± 0.0013 Å
b	24.423 ± 0.0011 Å
c	12.131 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8232.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	32
Hermann-Mauguin space group symbol	P b a 2
Hall space group symbol	P 2 -2ab
Residual factor for all reflections	0.1317
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	0.876
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179874 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/70.	7017054.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017054.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017054.cif
30025	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7017051, 7017052, 7017053, 7017054 via cif-deposit CGI script.	7017054.cif