Crystallography Open Database

Information card for entry 4348936

Preview

Coordinates	4348936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H75.2 Dy K Mn4 N8 O29.6
Calculated formula	C68 H75.2 Dy K Mn4 N8 O29.6
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	14.1334 ± 0.0018 Å
b	16.628 ± 0.002 Å
c	16.764 ± 0.002 Å
α	90°
β	96.893 ± 0.002°
γ	90°
Cell volume	3911.2 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0315
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
233497 (current)	2019-11-23	cif/ Adding structures of 4348933, 4348934, 4348935, 4348936, 4348937 via cif-deposit CGI script.	4348936.cif