Crystallography Open Database

Information card for entry 7711421

Preview

Coordinates	7711421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 Br2 Gd Mn N5 O13
Calculated formula	C24 H28 Br2 Gd Mn N5 O13
SMILES	[Mn]1234[N]5(Cc6c7c(C=[O][Gd]89%10([O]=N(=O)O8)([O]=N(=O)O9)([O]37)([O]=C(C)O2)[O]4c2c(C[N]1(CC5)C)cc(Br)cc2C=[O]%10)cc(Br)c6)C.C(#N)C.O
Title of publication	Magneto-thermal properties and slow magnetic relaxation in Mn(II)Ln(III) complexes: influence of magnetic coupling on the magneto-caloric effect.
Authors of publication	Oyarzabal, Itziar; Zabala-Lekuona, Andoni; Mota, Antonio J.; Palacios, María A; Rodríguez-Diéguez, Antonio; Lorusso, Giulia; Evangelisti, Marco; Rodríguez-Esteban, Corina; Brechin, Euan K.; Seco, José M; Colacio, Enrique
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	34
Pages of publication	12954 - 12967
a	13.5996 ± 0.0004 Å
b	15.0087 ± 0.0004 Å
c	15.709 ± 0.0005 Å
α	90°
β	90.733 ± 0.001°
γ	90°
Cell volume	3206.14 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278363 (current)	2022-10-05	cif/ Adding structures of 7711421, 7711422, 7711423, 7711424, 7711425, 7711426, 7711427, 7711428, 7711429 via cif-deposit CGI script.	7711421.cif