Crystallography Open Database

Information card for entry 7006662

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Coordinates	7006662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H69 Fe2 Mn N12 O38.5
Calculated formula	C68 H50 Fe2 Mn N12 O38.5
Title of publication	Molecular self-assemblies of a pi-conjugated redox-active bipyridinium cation with magnetic dimetallic oxalate-bridged trimeric clusters.
Authors of publication	Sun, Yan-Qiong; Zhang, Jie; Yang, Guo-Yu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	13
Pages of publication	1685 - 1690
a	11.9876 ± 0.0004 Å
b	20.4369 ± 0.0006 Å
c	15.942 ± 0.0005 Å
α	90°
β	99.365 ± 0.001°
γ	90°
Cell volume	3853.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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