Crystallography Open Database

Information card for entry 4306897

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Coordinates	4306897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C421.6 H136 Cl12 Mn N16.8
Calculated formula	C421.6 H136 Cl12 Mn N16.8
Title of publication	Formation of Antiferromagnetically Coupled C60.- and Diamagnetic (C70-)2 Dimers in Ionic Complexes of Fullerenes with (MDABCO+)2.MIITPP (M = Zn, Co, Mn, and Fe) Assemblies
Authors of publication	Dmitri V. Konarev; Salavat S. Khasanov; Akihiro Otsuka; Gunzi Saito; Rimma N. Lyubovskaya
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	2261 - 2271
a	19.117 ± 0.001 Å
b	19.566 ± 0.001 Å
c	20.731 ± 0.001 Å
α	67.606 ± 0.003°
β	81.629 ± 0.003°
γ	63.61 ± 0.003°
Cell volume	6419.7 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0959
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1664
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4306897.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306897.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306897.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306897.cif