Crystallography Open Database

Information card for entry 1557508

Preview

Coordinates	1557508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H84 Cu4 N4 O24
Calculated formula	C116 H84 Cu4 N4 O24
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	14.0177 ± 0.0005 Å
b	28.7314 ± 0.0008 Å
c	17.0738 ± 0.0006 Å
α	90°
β	110.611 ± 0.004°
γ	90°
Cell volume	6436.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0879
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
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.	1557508.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.	1557508.cif
249104	2020-03-06	cif/ Adding structures of 1557506, 1557507, 1557508, 1557509, 1557510, 1557511, 1557512 via cif-deposit CGI script.	1557508.cif