Crystallography Open Database

Information card for entry 4306896

Preview

Coordinates	4306896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C215.8 H83.8 Cl8.4 Mn N9.8
Calculated formula	C215.8 H83.8 Cl8.4 Mn N9.8
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	20.025 ± 0.001 Å
b	25.95 ± 0.001 Å
c	25.938 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	13478.6 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	4306896.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306896.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306896.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4306896.cif