Crystallography Open Database

Information card for entry 4003850

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Coordinates	4003850.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	UiO-67-NH2
Chemical name	Zr(IV) 2-Amino-4,4'-biphenyldicarboxylate metal-organic framework
Formula	C78.12 H43.06 N5.58 O40 Zr6
Calculated formula	C78.12 H43.06 N5.58 O40 Zr6
Title of publication	Interplay between Intrinsic Thermal Stability and Expansion Properties of Functionalized UiO-67 Metal‒Organic Frameworks
Authors of publication	Goodenough, Isabella; Devulapalli, Venkata Swaroopa Datta; Xu, Wenqian; Boyanich, Mikaela C.; Luo, Tian-Yi; De Souza, Mattheus; Richard, Mélissandre; Rosi, Nathaniel L.; Borguet, Eric
Journal of publication	Chemistry of Materials
Year of publication	2020
a	26.7196 ± 0.0005 Å
b	26.7196 ± 0.0005 Å
c	26.7196 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	19076.1 ± 0.6 Å³
Cell temperature	480 K
Ambient diffraction temperature	480 K
Ambient diffracton pressure	101 kPa
Sample thermal history	activated at 473 K for 10 min, and cooled to 90 K, then stepwisely heated to 480 K
Number of distinct elements	5
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor R(I) for significantly intense reflections	0.057
Goodness-of-fit parameter for all reflections	9.608
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.35364 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260302 (current)	2021-01-01	cif/ Adding structures of 4003847, 4003848, 4003849, 4003850, 4003851, 4003852 via cif-deposit CGI script.	4003850.cif