Crystallography Open Database

Information card for entry 7022944

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Coordinates	7022944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H95.5 Cl8 Mn4 N26.5 O34
Calculated formula	C111 H95.5 Cl8 Mn4 N26.5 O26
Title of publication	Novel self-assembled supramolecular architectures of Mn(II) ions with a hybrid pyrazine-bipyridine ligand.
Authors of publication	Wałęsa-Chorab, Monika; Kubicki, Maciej; Korabik, Maria; Patroniak, Violetta
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	26
Pages of publication	9746 - 9754
a	18.5171 ± 0.0007 Å
b	30.0858 ± 0.0011 Å
c	23.2151 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	12933.2 ± 0.9 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.1682
Residual factor for significantly intense reflections	0.1129
Weighted residual factors for significantly intense reflections	0.2786
Weighted residual factors for all reflections included in the refinement	0.3123
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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