Crystallography Open Database

Information card for entry 7041716

Preview

Coordinates	7041716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H46 Cl2 Mn2 N8 O14
Calculated formula	C56 H46 Cl2 Mn2 N8 O14
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	9.124 ± 0.0006 Å
b	12.579 ± 0.006 Å
c	13.411 ± 0.006 Å
α	63.45 ± 0.02°
β	88.31 ± 0.04°
γ	84.21 ± 0.04°
Cell volume	1369.6 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1109
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1971
Weighted residual factors for all reflections included in the refinement	0.2216
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7041716.html