Crystallography Open Database

Information card for entry 4311143

Preview

Coordinates	4311143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H118 Cl10 Mn11 N42 O20
Calculated formula	C126 H102 Cl10 Mn11 N42 O20
Title of publication	Supramolecular Mn(II) and Mn(II)/Mn(III) Grid Complexes with [Mn9(μ2-O)12] Core Structures. Structural, Magnetic, and Redox Properties and Surface Studies
Authors of publication	Liang Zhao; Zhiqiang Xu; Hilde Grove; Victoria A. Milway; Louise N. Dawe; Tareque S. M. Abedin; Laurence K. Thompson; Timothy L. Kelly; Rosemary G. Harvey; David O. Miller; Laura Weeks; Joseph G. Shapter; Kenneth J. Pope
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	3812 - 3824
a	18.27 ± 0.0005 Å
b	18.27 ± 0.0005 Å
c	26.7525 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	8929.8 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1842
Weighted residual factors for all reflections included in the refinement	0.1948
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179150 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/11.	4311143.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311143.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311143.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4311143.cif
2635	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311143 via cif-deposit CGI script.	4311143.cif