Crystallography Open Database

Information card for entry 7122366

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Structure parameters

Chemical name	UO2 4 tBu Ph
Formula	C68 H68 N4 O10 U2
Calculated formula	C68 H68 N4 O10 U2
Title of publication	Expanded Campestarene Hosts for Tetra- and Dinuclear Uranyl(VI) Complexes
Authors of publication	Chaudhry, Mohammad; Lelj, Francesco; MacLachlan, Mark
Journal of publication	Chemical Communications
Year of publication	2018
a	35.7713 ± 0.0016 Å
b	35.7713 ± 0.0016 Å
c	28.7439 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	36780 ± 3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7122366.cif
211092	2018-09-21	cif/ Adding structures of 7122363, 7122364, 7122365, 7122366 via cif-deposit CGI script.	7122366.cif