Crystallography Open Database

Information card for entry 7204080

7204079 << 7204080 >> 7204081

Preview

Coordinates	7204080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H30 Co N10.5 O
Calculated formula	C40.5 H16 Co N11.5 O
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	13.6682 ± 0.0005 Å
b	7.3102 ± 0.0002 Å
c	16.3705 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1635.7 ± 0.1 Å³
Cell temperature	113 K
Number of distinct elements	5
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	0.0432
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	1.343
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.	7204080.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204080.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204080.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/.	7204080.cif