Crystallography Open Database

Information card for entry 4348935

Preview

Coordinates	4348935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H66 Dy Mn4 N8 Na O29
Calculated formula	C68 H72 Dy Mn4 N8 Na O29
Title of publication	The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.
Authors of publication	Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	20
Pages of publication	10597 - 10607
a	14.1657 ± 0.0001 Å
b	16.5718 ± 0.0001 Å
c	16.7075 ± 0.0001 Å
α	90°
β	95.929 ± 0.001°
γ	90°
Cell volume	3901.12 ± 0.04 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	7
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233497 (current)	2019-11-23	cif/ Adding structures of 4348933, 4348934, 4348935, 4348936, 4348937 via cif-deposit CGI script.	4348935.cif