Crystallography Open Database

Information card for entry 7009317

Preview

Coordinates	7009317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H48 Cr N7 O7 S4
Calculated formula	C43 H48 Cr N7 O7 S4
Title of publication	TTF based charge transfer salts of [M(NCS)4(C9H7N)2]− where M = Cr, Fe and C9H7N = isoquinoline; observation of bulk ferrimagnetic order
Authors of publication	Turner, Scott S.; Michaut, Cecile; Durot, Stephanie; Day, Peter; Gelbrich, Thomas; Hursthouse, Michael B.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	6
Pages of publication	905
a	8.2051 ± 0.0005 Å
b	9.5548 ± 0.0007 Å
c	16.134 ± 0.0011 Å
α	75.502 ± 0.003°
β	78.898 ± 0.004°
γ	74.485 ± 0.004°
Cell volume	1169.23 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
179797 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/93.	7009317.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009317.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009317.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009317.cif