Crystallography Open Database

Information card for entry 1567212

Preview

Coordinates	1567212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H158 K2 N3 O16 Si8 U2
Calculated formula	C66 H158 K2 N3 O16 Si8 U2
Title of publication	Nitrogen activation and cleavage by a multimetallic uranium complex.
Authors of publication	Keener, Megan; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Zivkovic, Ivica; Mazzanti, Marinella
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	27
Pages of publication	8025 - 8035
a	14.10134 ± 0.0001 Å
b	30.68723 ± 0.00018 Å
c	46.2387 ± 0.0003 Å
α	90°
β	92.8994 ± 0.0007°
γ	90°
Cell volume	19983.3 ± 0.2 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.0839
Weighted residual factors for significantly intense reflections	0.2147
Weighted residual factors for all reflections included in the refinement	0.2218
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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