Crystallography Open Database

Information card for entry 4301591

Preview

Coordinates	4301591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H84 N22 Ni3 O6
Calculated formula	C56 H84 N22 Ni3 O6
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	9.709 ± 0.002 Å
b	13.109 ± 0.004 Å
c	13.984 ± 0.004 Å
α	101.136 ± 0.005°
β	94.915 ± 0.008°
γ	98.563 ± 0.01°
Cell volume	1714.8 ± 0.8 Å³
Cell temperature	296 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.348
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
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.	4301591.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301591.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301591.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301591.cif