Crystallography Open Database

Information card for entry 7041718

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Coordinates	7041718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H64 Mn3 N6 O18
Calculated formula	C72 H64 Mn3 N6 O18
Title of publication	Determination of ZFS parameters from the EPR spectra of mono-, di- and trinuclear Mn(II) complexes: impact of magnetic coupling.
Authors of publication	Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	8
Pages of publication	2699 - 2714
a	11.201 ± 0.01 Å
b	11.519 ± 0.007 Å
c	14.455 ± 0.01 Å
α	71.58 ± 0.04°
β	71.09 ± 0.04°
γ	74.74 ± 0.05°
Cell volume	1647 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1628
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.1881
Weighted residual factors for all reflections included in the refinement	0.219
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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