Crystallography Open Database

Information card for entry 7001195

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Structure parameters

Formula	C32 H16 F12 Mn N6 O4 S8
Calculated formula	C32 H16 F12 Mn N6 O4 S8
SMILES	C1=CSC(=C2SC=C(/C=N/c3c[n](ccn3)[Mn]34([n]5cc(/N=C/C6=CSC(=C7SC=CS7)S6)ncc5)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)S2)S1
Title of publication	Coordination complexes with the redox active tetrathiafulvalene based imino-pyrazine ligand: syntheses, a radical cation salt, crystal structures and electrochemistry
Authors of publication	Cosquer, Goulven; Pointillart, Fabrice; Le Gal, Yann; Golhen, Stéphane; Cador, Olivier; Ouahab, Lahcène
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	18
Pages of publication	3495 - 3502
a	15.6368 ± 0.0008 Å
b	10.6603 ± 0.0006 Å
c	26.5642 ± 0.0008 Å
α	90°
β	107.039 ± 0.003°
γ	90°
Cell volume	4233.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1006
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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