Crystallography Open Database

Information card for entry 4339632

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Coordinates	4339632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H46 Cl4 Mn2 N26
Calculated formula	C66 H46 Cl4 Mn2 N26
Title of publication	TCNE dimer dianion coordination complexes, [Mn(TPA)(TCNE)]2[micro2-(TCNE)2] and [Mn(TPA)(micro4-C4(CN)8)0.5].ClO4, TPA=tris(2-pyridylmethyl)amine: synthesis, structure and magnetic properties.
Authors of publication	Wang, Guangbin; Slebodnick, Carla; Yee, Gordon T.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9641 - 9645
a	10.4432 ± 0.0017 Å
b	12.2726 ± 0.0016 Å
c	13.708 ± 0.002 Å
α	88.505 ± 0.012°
β	75.56 ± 0.014°
γ	87.077 ± 0.012°
Cell volume	1699 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1148
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1525
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179499 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/96.	4339632.cif
117439	2014-06-15	cif/ Adding structures of 4339632 via cif-deposit CGI script.	4339632.cif