Crystallography Open Database

Information card for entry 7717091

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Coordinates	7717091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 N4 O6 U
Calculated formula	C27 H28 N4 O6 U
Title of publication	Controlling Mixed-Valence States of Pyridyldiimino-bis(o-phenolato) Ligand Radical in Uranyl(VI) Complexes
Authors of publication	Takeyama, Tomoyuki; Tsushima, Satoru; Takao, Koichiro
Journal of publication	Dalton Transactions
Year of publication	2024
a	11.579 ± 0.0003 Å
b	20.8632 ± 0.0006 Å
c	43.8957 ± 0.001 Å
α	90°
β	95.98 ± 0.002°
γ	90°
Cell volume	10546.4 ± 0.5 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
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	0.1839
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.1947
Weighted residual factors for all reflections included in the refinement	0.2489
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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