Crystallography Open Database

Information card for entry 4339856

Preview

Coordinates	4339856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H32 Mn2 N2 O11
Calculated formula	C23 H32 Mn2 N2 O11
SMILES	c12ccccc1C(=O)N1CC3CN4C(=O)c5ccccc5O[Mn]54([O]3[Mn]1(O2)([O]=C(C)O5)([OH]C)[OH]C)([OH]C)[OH]C
Title of publication	Structure and properties of dinuclear manganese(III) complexes with pentaanionic pentadentate ligands including alkoxo, amido, and phenoxo donors.
Authors of publication	Stoicescu, Liliana; Jeanson, Aurélie; Duhayon, Carine; Tesouro-Vallina, Ana; Boudalis, Athanassios K.; Costes, Jean-Pierre; Tuchagues, Jean-Pierre
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	6902 - 6910
a	10.511 ± 0.005 Å
b	11.713 ± 0.005 Å
c	13.135 ± 0.005 Å
α	64.401 ± 0.005°
β	74 ± 0.005°
γ	66.774 ± 0.005°
Cell volume	1329.3 ± 1 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1685
Residual factor for significantly intense reflections	0.0911
Weighted residual factors for significantly intense reflections	0.2237
Weighted residual factors for all reflections included in the refinement	0.2648
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
179501 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98.	4339856.cif
117581	2014-06-15	cif/ Adding structures of 4339856 via cif-deposit CGI script.	4339856.cif