Crystallography Open Database

Information card for entry 7227078

Preview

Coordinates	7227078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H34 Ho2 N6 O14
Calculated formula	C52 H34 Ho2 N6 O14
SMILES	C1(c2ccccc2)=[O][Ho]23456([n]7cccc8ccc9ccc[n]2c9c78)([O]=C(c2ccccc2)O[Ho]278(O1)([n]1cccc9ccc%10ccc[n]2c%10c19)([O]=C(c1ccccc1)[O]47)([O]5C(c1ccccc1)=[O]3)ON(=[O]8)=O)ON(=[O]6)=O
Title of publication	Luminescence, Chemical Sensing and Mechanical Properties of Crystalline Materials Based on Lanthanide-Sulfonate Coordination Polymers
Authors of publication	D'Vries, Richard Fernando; Gómez, Germán; Lionello, Diego E.; Fuertes, Cecilia; Soler-Illia, Galo; Ellena, Javier A.
Journal of publication	RSC Adv.
Year of publication	2016
a	10.638 ± 0.0003 Å
b	11.0224 ± 0.0004 Å
c	11.0417 ± 0.0004 Å
α	85.008 ± 0.002°
β	68.905 ± 0.002°
γ	81.393 ± 0.002°
Cell volume	1193.57 ± 0.07 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0908
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1272
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
188395 (current)	2016-11-11	cif/ Adding structures of 7227078, 7227079, 7227080, 7227081, 7227082, 7227083, 7227084 via cif-deposit CGI script.	7227078.cif