Crystallography Open Database

Information card for entry 4519048

4519047 << 4519048 >> 4519049

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Coordinates	4519048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H20 N6 O9 Tb
Calculated formula	C33 H20 N6 O9 Tb
Title of publication	Multifunctional Two-Dimensional Metal-Organic Frameworks for Radionuclide Sequestration and Detection.
Authors of publication	Surbella, 3rd, Robert G; Reilly, Dallas D.; Sinnwell, Michael A.; McNamara, Bruce K.; Sweet, Lucas E.; Schwantes, Jon M.; Thallapally, Praveen K.
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	38
Pages of publication	45696 - 45707
a	8.6105 ± 0.0003 Å
b	13.6163 ± 0.0005 Å
c	13.6664 ± 0.0005 Å
α	81.833 ± 0.001°
β	81.442 ± 0.001°
γ	79.354 ± 0.001°
Cell volume	1546.32 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0438
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
269474 (current)	2021-10-03	cif/ Adding structures of 4519047, 4519048 via cif-deposit CGI script.	4519048.cif