Crystallography Open Database

Information card for entry 7059647

Preview

Structure parameters

Formula	C33 H56 Dy F3 N6 O31
Calculated formula	C33 H56 Dy F3 N6 O31
Title of publication	Proton conduction in two hydrogen-bonded supramolecular lanthanide complexes
Authors of publication	Shi, Zhi-Qiang; Ji, Ning-Ning; Chen, Wan-Yao; Li, Gang
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	25
Pages of publication	10562 - 10568
a	20.5448 ± 0.0002 Å
b	20.51697 ± 0.00019 Å
c	23.3482 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	9841.66 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7059647.cif
257797	2020-10-06	cif/ Updating files of 7059647, 7059648 Original log message: Adding full bibliography for 7059647--7059648.cif.	7059647.cif
253958	2020-07-06	cif/ Updating files of 7059647, 7059648 Original log message: Adding full bibliography for 7059647--7059648.cif.	7059647.cif
252425	2020-05-28	cif/ Adding structures of 7059647, 7059648 via cif-deposit CGI script.	7059647.cif