Crystallography Open Database

Information card for entry 4328692

Preview

Coordinates	4328692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H39 Fe Mn N8 O5
Calculated formula	C40 H39 Fe Mn N8 O5
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	23.749 ± 0.005 Å
b	8.572 ± 0.005 Å
c	18.824 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3832 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0523
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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.	4328692.cif
77686	2013-03-29	cif/ Adding structures of 4328692 via cif-deposit CGI script.	4328692.cif