Crystallography Open Database

Information card for entry 7113509

Preview

Coordinates	7113509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 Fe2 Mn N13 O1.5
Calculated formula	C30 H19 Fe2 Mn N13 O1.5
Title of publication	Cyanide-bridged Fe(III)‒Co(II) bis double zigzag chains with a slow relaxation of the magnetisation
Authors of publication	Toma, Luminita Marilena; Lescouëzec, Rodrigue; Lloret, Francesc; Julve, Miguel; Vaissermann, Jacqueline; Verdaguer, Michel
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	15
Pages of publication	1850 - 1851
a	19.956 ± 0.005 Å
b	7.464 ± 0.003 Å
c	21.214 ± 0.005 Å
α	90°
β	96.42 ± 0.02°
γ	90°
Cell volume	3140 ± 1.7 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0494
Goodness-of-fit parameter for significantly intense reflections	1.0593
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Duplicate of	7103801
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7113509.cif
210676	2018-09-09	cif/7/ Updating bibliography in entries 7103800-7103801, 7113508-7113509. Marking entries 7113508-7113509 as duplicates of entries 7103800-7103801.	7113509.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113509.cif
115098	2014-06-02	cif/ Adding structures of 7113508, 7113509 via cif-deposit CGI script.	7113509.cif