Crystallography Open Database

Information card for entry 7039353

Preview

Coordinates	7039353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H47 Cl2 Mn2 N4 O14
Calculated formula	C44 H48 Cl2 Mn2 N4 O14
Title of publication	New insights into the comprehension of the magnetic properties of dinuclear Mn(III) compounds with the general formula [{MnL(NN)}2(μ-O)(μ-n-RC6H4COO)2]X2.
Authors of publication	Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	29
Pages of publication	11753 - 11764
a	24.6687 ± 0.0018 Å
b	13.5393 ± 0.0009 Å
c	28.996 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	9684.6 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185485 (current)	2016-08-07	cif/ Updating files of 7039349, 7039350, 7039351, 7039352, 7039353 Original log message: Adding full bibliography for 7039349--7039353.cif.	7039353.cif
183165	2016-05-31	cif/ Adding structures of 7039349, 7039350, 7039351, 7039352, 7039353 via cif-deposit CGI script.	7039353.cif