Crystallography Open Database

Information card for entry 4342867

Preview

Coordinates	4342867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H48 Dy F9 N4 O6 S9
Calculated formula	C58 H48 Dy F9 N4 O6 S9
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	19.4111 ± 0.0011 Å
b	20.991 ± 0.0011 Å
c	34.2648 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	13961.5 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b n a
Hall space group symbol	-P 2ac 2b
Residual factor for all reflections	0.1649
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.2606
Weighted residual factors for all reflections included in the refinement	0.2985
Goodness-of-fit parameter for all reflections included in the refinement	0.904
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4342867.cif
136719	2015-05-18	cif/ Adding structures of 4342867 via cif-deposit CGI script.	4342867.cif