Crystallography Open Database

Information card for entry 4343433

Preview

Coordinates	4343433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H76 N2 O8 U
Calculated formula	C56 H76 N2 O8 U
SMILES	[U]1234(=O)(=O)(Oc5c6N3c3c(O1)c(cc(c3Oc6c(cc5C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)Oc1c3N4c4c(O2)c(cc(c4Oc3c(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Spectroscopic and Structural Elucidation of Uranium Dioxophenoxazine Complexes.
Authors of publication	Pattenaude, Scott A.; Kuehner, Christopher S.; Dorfner, Walter L.; Schelter, Eric J.; Fanwick, Phillip E.; Bart, Suzanne C.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	13
Pages of publication	6520 - 6527
a	19.901 ± 0.0008 Å
b	11.2184 ± 0.0003 Å
c	27.7219 ± 0.0006 Å
α	90°
β	109.155 ± 0.002°
γ	90°
Cell volume	5846.5 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.0713
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1782
Weighted residual factors for all reflections included in the refinement	0.1887
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
141341 (current)	2015-07-08	cif/ Updating files of 4343432, 4343433, 4343434 Original log message: Adding full bibliography for 4343432--4343434.cif.	4343433.cif
139592	2015-06-25	cif/ Adding structures of 4343433 via cif-deposit CGI script.	4343433.cif