Crystallography Open Database

Information card for entry 7026061

Preview

Coordinates	7026061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H132 Cl6 Mn6 N24 O36
Calculated formula	C120 H132 Cl6 Mn6 N24 O36
Title of publication	Synthesis and characterisation of low valent Mn-complexes as models for Mn-catalases.
Authors of publication	Berggren, Gustav; Huang, Ping; Eriksson, Lars; Styring, Stenbjörn; Anderlund, Magnus F.; Thapper, Anders
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	45
Pages of publication	11035 - 11044
a	26.7119 ± 0.0003 Å
b	26.7119 ± 0.0003 Å
c	24.2013 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	17268.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.1892
Residual factor for significantly intense reflections	0.1532
Weighted residual factors for significantly intense reflections	0.3973
Weighted residual factors for all reflections included in the refinement	0.4092
Goodness-of-fit parameter for all reflections included in the refinement	3.376
Diffraction radiation wavelength	0.90769 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179966 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/60.	7026061.cif
93395	2014-01-13	cif/ Adding structures of 7026060, 7026061 via cif-deposit CGI script.	7026061.cif