Crystallography Open Database

Information card for entry 7122183

Preview

Coordinates	7122183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H61 B I2 N3 O7 U
Calculated formula	C44 H61 B I2 N3 O7 U
Title of publication	Synthesis of uranium-in-cryptand complexes.
Authors of publication	Huh, Daniel N.; Windorff, Cory J.; Ziller, Joseph W.; Evans, William J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	73
Pages of publication	10272 - 10275
a	20.142 ± 0.003 Å
b	9.6317 ± 0.0016 Å
c	26.979 ± 0.005 Å
α	90°
β	107.307 ± 0.002°
γ	90°
Cell volume	4997 ± 1.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228050 (current)	2019-11-17	cif/ Updating files of 7122180, 7122181, 7122182, 7122183 Original log message: Adding full bibliography for 7122180--7122183.cif.	7122183.cif
209735	2018-08-16	cif/ Adding structures of 7122180, 7122181, 7122182, 7122183 via cif-deposit CGI script.	7122183.cif