Crystallography Open Database

Information card for entry 4107521

Preview

Coordinates	4107521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 Mn N4
Calculated formula	C36 H44 Mn N4
SMILES	[Mn]12([n]3ccccc3C=[N]1c1c(cccc1C(C)C)C(C)C)[n]1ccccc1C=[N]2c1c(cccc1C(C)C)C(C)C
Title of publication	Neutral Bis(α-iminopyridine)metal Complexes of the First-Row Transition Ions (Cr, Mn, Fe, Co, Ni, Zn) and Their Monocationic Analogues: Mixed Valency Involving a Redox Noninnocent Ligand System
Authors of publication	Connie C. Lu; Eckhard Bill; Thomas Weyhermüller; Eberhard Bothe; Karl Wieghardt
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3181 - 3197
a	18.6955 ± 0.0004 Å
b	17.8857 ± 0.0004 Å
c	19.2902 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6450.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
178821 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/75.	4107521.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107521.cif
55207	2012-05-04	cif/ Adding structures of 4107521 via cif-deposit CGI script.	4107521.cif