Crystallography Open Database

Information card for entry 4519540

4519539 << 4519540 >> 4519541

Preview

Coordinates	4519540.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MOF-520-BPDC_3.32 GPa
Formula	C34 H21 Al2 O10
Calculated formula	C34 H21 Al2 O10
Title of publication	Molecular Retrofitting Adapts a Metal–Organic Framework to Extreme Pressure
Authors of publication	Kapustin, Eugene A.; Lee, Seungkyu; Alshammari, Ahmad S.; Yaghi, Omar M.
Journal of publication	ACS Central Science
Year of publication	2017
Journal volume	3
Journal issue	6
Pages of publication	662 - 667
a	19.0287 ± 0.0013 Å
b	19.0287 ± 0.0013 Å
c	36.54 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	13230.8 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	94
Hermann-Mauguin space group symbol	P 42 21 2
Hall space group symbol	P 4n 2n
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1443
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.49594 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306902 (current)	2026-09-24	cif/ Adding structures of 4519530, 4519531, 4519532, 4519533, 4519534, 4519535, 4519536, 4519537, 4519538, 4519539, 4519540, 4519541, 4519542 via cif-deposit CGI script.	4519540.cif