Crystallography Open Database

Information card for entry 7203330

7203329 << 7203330 >> 7203331

Preview

Coordinates	7203330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H74 Cl4 Mn5 N42 O29
Calculated formula	C60 H60 Cl4 Mn5 N42 O29
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	16.8375 ± 0.0019 Å
b	23.483 ± 0.003 Å
c	23.61 ± 0.003 Å
α	90°
β	96.97 ± 0.003°
γ	90°
Cell volume	9266 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1096
Residual factor for significantly intense reflections	0.0979
Weighted residual factors for significantly intense reflections	0.2731
Weighted residual factors for all reflections included in the refinement	0.2906
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	7203330.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203330.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203330.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203330.cif