Crystallography Open Database

Information card for entry 1550898

Preview

Coordinates	1550898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H83 Dy2 Mn2 N5 O20
Calculated formula	C72 H83 Dy2 Mn2 N5 O20
Title of publication	Mechanism of Magnetization Relaxation in {MIII2DyIII2} (M = Cr, Mn, Fe, Al) “Butterfly” Complexes: How Important Are the Transition Metal Ions Here?
Authors of publication	Peng, Yan; Singh, Mukesh Kumar; Mereacre, Valeriu; Anson, Christopher; Rajaraman, Gopalan; Powell, Annie K.
Journal of publication	Chemical Science
Year of publication	2019
a	11.1952 ± 0.0002 Å
b	13.2472 ± 0.0003 Å
c	14.6071 ± 0.0003 Å
α	111.771 ± 0.002°
β	93.386 ± 0.002°
γ	110.092 ± 0.002°
Cell volume	1845.67 ± 0.08 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180.01 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0282
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0648
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
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
214658 (current)	2019-04-17	cif/ Adding structures of 1550897, 1550898, 1550899, 1550900 via cif-deposit CGI script.	1550898.cif