Crystallography Open Database

Information card for entry 4301592

Preview

Coordinates	4301592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H76 Cl2 Fe3 N18 O15
Calculated formula	C49 H76 Cl2 Fe3 N18 O15
Title of publication	Ferromagnetic Superexchange Coupling through a Diamagnetic Iron(II) Ion in a Mixed-Valent Iron(III, II, III) meso-Helicate
Authors of publication	Toshihide Mochizuki; Takashi Nogami; Takayuki Ishida
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2254 - 2259
a	11.523 ± 0.007 Å
b	24.015 ± 0.012 Å
c	12.456 ± 0.007 Å
α	90°
β	111.572 ± 0.007°
γ	90°
Cell volume	3205 ± 3 Å³
Cell temperature	90 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 significantly intense reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.7107 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.	4301592.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301592.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301592.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301592.cif