Crystallography Open Database

Information card for entry 4517688

Preview

Coordinates	4517688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C338 H192 Cu24 N24 O158
Calculated formula	C338 H192 Cu24 N24 O158
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	28.755 ± 0.006 Å
b	36.718 ± 0.007 Å
c	37.195 ± 0.007 Å
α	90°
β	102.779 ± 0.008°
γ	90°
Cell volume	38299 ± 13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2359
Residual factor for significantly intense reflections	0.1424
Weighted residual factors for significantly intense reflections	0.3741
Weighted residual factors for all reflections included in the refinement	0.4389
Goodness-of-fit parameter for all reflections included in the refinement	1.394
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
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.	4517688.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.	4517688.cif
252280	2020-05-23	cif/ Adding structures of 4517688 via cif-deposit CGI script.	4517688.cif