Crystallography Open Database

Information card for entry 1540388

Preview

Coordinates	1540388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H198 Cu6 K4 Mn4 N12 O105
Calculated formula	C78 H60 Cu6 K4 Mn4 N12 O55
Title of publication	Cation Exchange in Dynamic 3D Porous Magnets: Improvement of the Physical Properties.
Authors of publication	Grancha, Thais; Acosta, Alvaro; Cano, Joan; Ferrando-Soria, Jesús; Seoane, Beatriz; Gascon, Jorge; Pasán, Jorge; Armentano, Donatella; Pardo, Emilio
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	10834 - 10840
a	37.492 ± 0.008 Å
b	37.492 ± 0.008 Å
c	15.557 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	21868 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.2687
Residual factor for significantly intense reflections	0.1699
Weighted residual factors for significantly intense reflections	0.3668
Weighted residual factors for all reflections included in the refinement	0.3939
Goodness-of-fit parameter for all reflections included in the refinement	1.525
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
170784 (current)	2015-12-06	cif/ Updating files of 1540387, 1540388 Original log message: Adding full bibliography for 1540387--1540388.cif.	1540388.cif
169678	2015-10-23	cif/ Adding structures of 1540388 via cif-deposit CGI script.	1540388.cif