Crystallography Open Database

Information card for entry 4517686

Preview

Coordinates	4517686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C360 H216 Cu24 N24 O120
Calculated formula	C360 H216 Cu24 N24 O120
Title of publication	Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.
Authors of publication	Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.
Journal of publication	ACS applied materials & interfaces
Year of publication	2020
Journal volume	12
Journal issue	22
Pages of publication	24913 - 24919
a	28.327 ± 0.002 Å
b	28.327 ± 0.002 Å
c	40.322 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	32355 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.2297
Residual factor for significantly intense reflections	0.2041
Weighted residual factors for significantly intense reflections	0.5532
Weighted residual factors for all reflections included in the refinement	0.5806
Goodness-of-fit parameter for all reflections included in the refinement	2.947
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256979 (current)	2020-10-04	cif/ Updating files of 4517681, 4517682, 4517683, 4517684, 4517685, 4517686, 4517687, 4517688 Original log message: Adding full bibliography for 4517681--4517688.cif.	4517686.cif
252586	2020-06-04	cif/ Updating files of 4517681, 4517682, 4517683, 4517684, 4517685, 4517686, 4517687, 4517688 Original log message: Adding full bibliography for 4517681--4517688.cif.	4517686.cif
252278	2020-05-23	cif/ Adding structures of 4517686 via cif-deposit CGI script.	4517686.cif