Crystallography Open Database

Information card for entry 1570371

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Coordinates	1570371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Mn N8 O6 S2
Calculated formula	C16 H18 Mn N8 O6.5 S2
Title of publication	From non-conductive MOF to proton-conducting metal-HOFs: a new class of reversible transformations induced by solvent-free mechanochemistry.
Authors of publication	Lupa-Myszkowska, Magdalena; Oszajca, Marcin; Matoga, Dariusz
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	48
Pages of publication	14176 - 14181
a	14.3651 ± 0.0005 Å
b	14.91024 ± 0.00015 Å
c	13.24655 ± 0.00015 Å
α	90°
β	117.406 ± 0.004°
γ	90°
Cell volume	2518.81 ± 0.13 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	A 1 n 1
Hall space group symbol	A -2yab
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for all reflections	0.0545
Weighted residual factors for significantly intense reflections	0.0524
Goodness-of-fit parameter for all reflections	1.5113
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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