Crystallography Open Database

Information card for entry 7120381

7120380 << 7120381 >> 7120382

Preview

Coordinates	7120381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 Dy F3 N O4 S
Calculated formula	C22 H23 Dy F3 N O4 S
SMILES	[Dy]123456789%10([O]%11CCCC%11)(OS(=O)(=O)C(F)(F)F)[n]%11c(cccc%11C[c]%114[cH]3[cH]2[cH]%10[cH]5%11)C[c]27[cH]1[cH]9[cH]6[cH]82
Title of publication	Comparative Study of Magnetization Dynamics in Dinuclear Dysprosium Complexes Featuring Bridging Chloride or Trifluoromethanesulfonate Ligands
Authors of publication	Burns, Corey P.; Wilkins, Branford O.; Dickie, Courtney M.; Latendresse, Trevor; Vernier, Larry; Vignesh, Kuduva R.; Bhuvanesh, Nattamai; Nippe, Michael
Journal of publication	Chem. Commun.
Year of publication	2017
a	8.2141 ± 0.0003 Å
b	11.0008 ± 0.0004 Å
c	12.1504 ± 0.0005 Å
α	82.426 ± 0.002°
β	78.374 ± 0.002°
γ	88.147 ± 0.002°
Cell volume	1066 ± 0.07 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.017
Residual factor for significantly intense reflections	0.0149
Weighted residual factors for significantly intense reflections	0.0362
Weighted residual factors for all reflections included in the refinement	0.0374
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
198444 (current)	2017-07-05	cif/ Adding structures of 7120379, 7120380, 7120381, 7120382 via cif-deposit CGI script.	7120381.cif