Crystallography Open Database

Information card for entry 7115981

Preview

Coordinates	7115981.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	UPG-1
Formula	C48 N6 O28 P6 Zr
Calculated formula	C48 N6 O28 P6 Zr
Title of publication	The first route to highly stable crystalline microporous zirconium phosphonate metal-organic frameworks
Authors of publication	Marco Taddei; Ferdinando Costantino; Fabio Marmottini; Angiolina Comotti; Piero Sozzani; Riccardo Vivani
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	14831
a	60.6741 ± 0.0015 Å
b	60.6741 Å
c	5.12775 ± 0.00027 Å
α	90°
β	90°
γ	120°
Cell volume	16348 ± 1 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
RFsqd	0.10976
Goodness-of-fit parameter for all reflections	5.17
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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