Crystallography Open Database

Information card for entry 7009764

Preview

Coordinates	7009764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H28 Br4 Cl4 Mn N8
Calculated formula	C52 H28 Br4 Cl4 Mn N8
Title of publication	Effect of thermal annealing on the ferrimagnetic behavior and ordering of the [MnTXPP]+[TCNE]˙−·solv (X = F, Cl, Br, I; solv = PhMe, CH2Cl2) family of magnets
Authors of publication	Rittenberg, Durrell K.; Arif, Atta M.; Miller, Joel S.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	21
Pages of publication	3939
a	9.973 ± 0.005 Å
b	10.824 ± 0.005 Å
c	23.584 ± 0.015 Å
α	90°
β	100.23 ± 0.06°
γ	90°
Cell volume	2505 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.1484
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
179801 (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 7/00/97.	7009764.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009764.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009764.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009764.cif