Crystallography Open Database

Information card for entry 7057296

Preview

Coordinates	7057296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H35 Cl Mn2 N6 O10.5
Calculated formula	C40 H35 Cl Mn2 N6 O10.5
Title of publication	The first alternating MnII‒MnIII 1D chain: structure, magnetic properties and catalytic oxidase activities
Authors of publication	Ganguly, Sayantan; Kar, Paramita; Chakraborty, Maharudra; Ghosh, Ashutosh
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	12
Pages of publication	9517
a	12.519 ± 0.002 Å
b	14.724 ± 0.002 Å
c	13.436 ± 0.002 Å
α	90°
β	117.48 ± 0.004°
γ	90°
Cell volume	2197.2 ± 0.6 Å³
Cell temperature	257 ± 2 K
Ambient diffraction temperature	257 ± 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	0.0716
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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