Crystallography Open Database

Information card for entry 4519530

4519529 << 4519530 >> 4519531

Preview

Coordinates	4519530.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MOF-520-BPDC_100K
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	19.1813 ± 0.0007 Å
b	19.1813 ± 0.0007 Å
c	36.6658 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	13490.2 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0397
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.0332 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.	4519530.cif