Crystallography Open Database

Information card for entry 7203328

7203327 << 7203328 >> 7203329

Preview

Coordinates	7203328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H49 Cl4 Cu4 N31 O20
Calculated formula	C46 H49 Cl4 Cu4 N31 O20
Title of publication	Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties
Authors of publication	Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.
Journal of publication	Journal of Materials Chemistry
Year of publication	2006
Journal volume	16
Journal issue	26
Pages of publication	2645
a	22.912 ± 0.009 Å
b	21.105 ± 0.007 Å
c	18.184 ± 0.007 Å
α	90°
β	128.679 ± 0.007°
γ	90°
Cell volume	6864 ± 4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1217
Residual factor for significantly intense reflections	0.1101
Weighted residual factors for significantly intense reflections	0.2878
Weighted residual factors for all reflections included in the refinement	0.2986
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
180364 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/33.	7203328.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203328.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203328.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203328.cif