Crystallography Open Database

Information card for entry 7039350

Preview

Coordinates	7039350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H69 Mn4 N13 O29
Calculated formula	C74 H64 Mn4 N13 O29
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	9.8493 ± 0.0009 Å
b	14.2702 ± 0.0014 Å
c	15.7977 ± 0.0016 Å
α	114.076 ± 0.004°
β	97.913 ± 0.004°
γ	94.134 ± 0.004°
Cell volume	1987.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1058
Residual factor for significantly intense reflections	0.0842
Weighted residual factors for significantly intense reflections	0.244
Weighted residual factors for all reflections included in the refinement	0.2564
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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.	7039350.cif
183165	2016-05-31	cif/ Adding structures of 7039349, 7039350, 7039351, 7039352, 7039353 via cif-deposit CGI script.	7039350.cif