Crystallography Open Database

Information card for entry 1515040

Preview

Coordinates	1515040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H93 Cu2 Dy6 N11 O54
Calculated formula	C69 H93 Cu2 Dy6 N11 O54
Title of publication	Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets
Authors of publication	Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	4
Pages of publication	1169
a	11.2309 ± 0.0006 Å
b	23.8183 ± 0.0012 Å
c	20.3932 ± 0.0011 Å
α	90°
β	102.308 ± 0.005°
γ	90°
Cell volume	5329.8 ± 0.5 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for all reflections	0.0944
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.0638
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515040.cif
110848	2014-04-20	cif/ Adding structures of 1515040, 1515041, 1515042, 1515043 via cif-deposit CGI script.	1515040.cif