Crystallography Open Database

Information card for entry 1550899

Preview

Coordinates	1550899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H78 Al2 Dy0.18 N6 O18 Y1.82
Calculated formula	C72 H78 Al2 Dy0.18 N6 O18 Y1.82
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	27.5982 ± 0.0003 Å
b	10.68 ± 0.0002 Å
c	24.4179 ± 0.0003 Å
α	90°
β	94.202 ± 0.001°
γ	90°
Cell volume	7177.8 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	1550899.cif