Crystallography Open Database

Information card for entry 4328697

Preview

Coordinates	4328697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H88 Fe2 Mn2 N16 O11.5
Calculated formula	C84 H88 Fe2 Mn2 N16 O11.5
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	10.7731 ± 0.0003 Å
b	13.7589 ± 0.0004 Å
c	27.5931 ± 0.0009 Å
α	90°
β	101.672 ± 0.002°
γ	90°
Cell volume	4005.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1378
Residual factor for significantly intense reflections	0.0686
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.2231
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4328697.cif
77691	2013-03-29	cif/ Adding structures of 4328697 via cif-deposit CGI script.	4328697.cif