Crystallography Open Database

Information card for entry 7026060

Preview

Coordinates	7026060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H45 Cl3 Mn2 N8 O10
Calculated formula	C38 H45 Cl3 Mn2 N8 O10
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	19.2617 ± 0.0009 Å
b	14.0395 ± 0.0007 Å
c	36.5344 ± 0.0016 Å
α	90°
β	93.564 ± 0.004°
γ	90°
Cell volume	9860.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0798
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1537
Weighted residual factors for all reflections included in the refinement	0.164
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
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.	7026060.cif
93395	2014-01-13	cif/ Adding structures of 7026060, 7026061 via cif-deposit CGI script.	7026060.cif