Crystallography Open Database

Information card for entry 7056751

Preview

Coordinates	7056751.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Poly{[diaquatris(mu4-perylene-3,4,9,10-tetracarboxylato)-eicosakis(dimethylformamide)tetradysprosium] tetrahydrate tetrakis(dimethylformamide)}
Formula	C60 H99 Dy2 N12 O33 S6
Calculated formula	C55.5 H84.5 Dy2 N10.5 O29.5 S6
Title of publication	Slow relaxation of magnetization and luminescence properties of a novel dysprosium and pyrene-1,3,6,8-tetrasulfonate based MOF
Authors of publication	García-García, Amalia; Oyarzabal, Itziar; Cepeda, Javier; Seco, José M.; García-Valdivia, Antonio A.; Gómez-Ruiz, Santiago; Salinas-Castillo, Alfonso; Choquesillo-Lazarte, Duane; Rodríguez-Diéguez, Antonio
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	2
Pages of publication	832
a	14.162 ± 0.001 Å
b	38.224 ± 0.003 Å
c	14.065 ± 0.0011 Å
α	90°
β	94.915 ± 0.002°
γ	90°
Cell volume	7585.8 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
230300 (current)	2019-11-17	cif/ Updating files of 7056751 Original log message: Adding full bibliography for 7056751.cif.	7056751.cif
203229	2017-11-16	cif/ Adding structures of 7056751 via cif-deposit CGI script.	7056751.cif