Crystallography Open Database

Information card for entry 4308774

Preview

Coordinates	4308774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H90 Fe2 N24 Ni3 O12
Calculated formula	C36 H66 Fe2 N24 Ni3 O12
Title of publication	A New Bimetallic Intercalated 3-D Assembly Magnet [{(323)Ni}3{FeIII(CN)6}2]n.12nH2O (323 =N,N'-Bis(3-aminopropyl) Ethylenediamine): An Unprecedented Concomitant Presence of Meridional and Facial Arrangment of Ferricyanide Anion
Authors of publication	Manas K. Saha; María C. Morón; Fernando Palacio; Ivan Bernal
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1354 - 1361
a	15.656 ± 0.002 Å
b	15.291 ± 0.002 Å
c	50.912 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	12188 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1422
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179125 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/87.	4308774.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4308774.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308774.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4308774.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308774.cif