Crystallography Open Database

Information card for entry 7122180

Preview

Coordinates	7122180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H46 Cl3 La N2 O7
Calculated formula	C22 H36 Cl3 La N2 O7
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	13.8322 ± 0.0011 Å
b	16.2467 ± 0.0013 Å
c	13.1611 ± 0.001 Å
α	90°
β	106.058 ± 0.0009°
γ	90°
Cell volume	2842.3 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0232
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0541
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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