Crystallography Open Database

Information card for entry 7204077

7204076 << 7204077 >> 7204078

Preview

Coordinates	7204077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.5 H26 Fe N11.5
Calculated formula	C40.5 H16 Fe N11.5
Title of publication	Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site
Authors of publication	Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki
Journal of publication	Journal of Materials Chemistry
Year of publication	2001
Journal volume	11
Journal issue	10
Pages of publication	2493
a	13.9001 ± 0.0005 Å
b	7.3319 ± 0.0002 Å
c	16.3165 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1662.88 ± 0.09 Å³
Cell temperature	295 K
Number of distinct elements	4
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	3.182
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7204077.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204077.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204077.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204077.cif