Crystallography Open Database

Information card for entry 7041694

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Coordinates	7041694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H78 Cl2 Mn4 N4 O12 S4
Calculated formula	C69 H78 Cl2 Mn4 N4 O12 S4
Title of publication	Mono- and bimetallic manganese-carbonyl complexes and clusters bearing imidazol(in)ium-2-dithiocarboxylate ligands.
Authors of publication	Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	6
Pages of publication	1779 - 1788
a	38.3937 ± 0.0013 Å
b	11.4255 ± 0.0004 Å
c	16.4614 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7221.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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