Crystallography Open Database

Information card for entry 7062027

7062026 << 7062027 >> 7062028

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Coordinates	7062027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Mn N5 O14
Calculated formula	C21 H15 Mn N5 O14
Title of publication	An exchange interaction of the antiferromagnetic nature in benzoate bridged Mn(ii) chains
Authors of publication	Mičová, Romana; Rajnák, Cyril; Titiš, Ján; Moncoľ, Ján; Dlháň, Ľubor; Zalibera, Michal; Boča, Roman
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	47
Pages of publication	22686 - 22691
a	19.6232 ± 0.0008 Å
b	13.1888 ± 0.0005 Å
c	8.6608 ± 0.0004 Å
α	90°
β	97.265 ± 0.003°
γ	90°
Cell volume	2223.48 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0388
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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