Crystallography Open Database

Information card for entry 7717090

Preview

Coordinates	7717090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.07 H29.15 Cl0.15 N3 O4 U
Calculated formula	C27 H29 N3 O4 U
Title of publication	Controlling mixed-valence states of pyridyldiimino-bis(<i>o</i>-phenolato) ligand radical in uranyl(VI) complexes.
Authors of publication	Takeyama, Tomoyuki; Tsushima, Satoru; Takao, Koichiro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	40
Pages of publication	16671 - 16684
a	14.1328 ± 0.0007 Å
b	17.944 ± 0.0008 Å
c	10.8539 ± 0.0004 Å
α	90°
β	109.71 ± 0.005°
γ	90°
Cell volume	2591.3 ± 0.2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
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	0.0755
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
296589 (current)	2024-12-06	cif/ Updating files of 7717089, 7717090, 7717091 Original log message: Adding full bibliography for 7717089--7717091.cif.	7717090.cif
294906	2024-09-27	cif/ Adding structures of 7717089, 7717090, 7717091 via cif-deposit CGI script.	7717090.cif