Crystallography Open Database

Information card for entry 4342866

Preview

Coordinates	4342866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H39 Dy F18 N4 O6 S6
Calculated formula	C49 H39 Dy F18 N4 O6 S6
SMILES	CCCSC1=C(SCCC)SC(S1)=C1Sc2c(cc3c(c2)nc2c(c4c5c6c2ccc[n]6[Dy]267([n]5ccc4)(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]6)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]7)C(F)(F)F)n3)S1.CCCCCC
Title of publication	Luminescence and single-molecule magnet behavior in lanthanide complexes involving a tetrathiafulvalene-fused dipyridophenazine ligand.
Authors of publication	Pointillart, Fabrice; Jung, Julie; Berraud-Pache, Romain; Le Guennic, Boris; Dorcet, Vincent; Golhen, Stéphane; Cador, Olivier; Maury, Olivier; Guyot, Yannick; Decurtins, Silvio; Liu, Shi-Xia; Ouahab, Lahcène
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	11
Pages of publication	5384 - 5397
a	22.0242 ± 0.0019 Å
b	32.654 ± 0.003 Å
c	21.569 ± 0.002 Å
α	90°
β	128.919 ± 0.003°
γ	90°
Cell volume	12069 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.2225
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.1487
Weighted residual factors for all reflections included in the refinement	0.1982
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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
138134 (current)	2015-06-05	cif/ Updating files of 4342866, 4342867 Original log message: Adding full bibliography for 4342866--4342867.cif.	4342866.cif
136718	2015-05-18	cif/ Adding structures of 4342866 via cif-deposit CGI script.	4342866.cif