Crystallography Open Database

Information card for entry 7056519

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Coordinates	7056519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Mn N5 O4
Calculated formula	C18 H18 Mn N5 O4
Title of publication	Three novel mononuclear Mn(III) based magnetic materials with square pyramidal versus octahedral geometries
Authors of publication	Dolai, Malay; Mondal, Abhishake; Liu, Jun-Liang; Mahammad, Ali
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	19
Pages of publication	10890 - 10898
a	18.1502 ± 0.0008 Å
b	10.0629 ± 0.0004 Å
c	20.4381 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3732.9 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1282
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.18
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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