Crystallography Open Database

Information card for entry 1557511

Preview

Coordinates	1557511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H72 Cu4 O24 S4
Calculated formula	C108 H72 Cu4 O24 S4
Title of publication	On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra
Authors of publication	Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	14
Pages of publication	3664 - 3671
a	14.151 ± 0.003 Å
b	32.563 ± 0.007 Å
c	26.766 ± 0.005 Å
α	90°
β	102.26 ± 0.03°
γ	90°
Cell volume	12052 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.2226
Weighted residual factors for all reflections included in the refinement	0.2406
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257356 (current)	2020-10-06	cif/ Updating files of 1557506, 1557507, 1557508, 1557509, 1557510, 1557511, 1557512 Original log message: Adding full bibliography for 1557506--1557512.cif.	1557511.cif
251600	2020-05-05	cif/ Updating files of 1557506, 1557507, 1557508, 1557509, 1557510, 1557511, 1557512 Original log message: Adding full bibliography for 1557506--1557512.cif.	1557511.cif
249104	2020-03-06	cif/ Adding structures of 1557506, 1557507, 1557508, 1557509, 1557510, 1557511, 1557512 via cif-deposit CGI script.	1557511.cif