Crystallography Open Database

Information card for entry 4328693

Preview

Coordinates	4328693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 Fe Mn N8 O9
Calculated formula	C34 H34 Fe Mn N8 O9
SMILES	[Fe]12([n]3ccccc3C(=O)N1C(=O)c1[n]2cccc1)(C#N)(C#N)C#[N][Mn]123(Oc4c(OC)cccc4C=[N]2CC[N]3=Cc2cccc(OC)c2O1)[OH2].O.OC
Title of publication	Cyanido-Bridged Fe(III)-Mn(III) Heterobimetallic Materials Built From Mn(III) Schiff Base Complexes and Di- or Tri-Cyanido Fe(III) Precursors
Authors of publication	Tapas Senapati; Céline Pichon; Rodica Ababei; Corine Mathonière; Rodolphe Clérac
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3796 - 3812
a	11.548 ± 0.005 Å
b	12.431 ± 0.005 Å
c	13.16 ± 0.005 Å
α	91.241 ± 0.005°
β	102.517 ± 0.005°
γ	105.191 ± 0.005°
Cell volume	1773.6 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179389 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/86.	4328693.cif
77687	2013-03-29	cif/ Adding structures of 4328693 via cif-deposit CGI script.	4328693.cif