Crystallography Open Database

Information card for entry 4343432

Preview

Coordinates	4343432.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 I2 N O5 U
Calculated formula	C36 H54 I2 N O5 U
SMILES	[U]12(I)(I)(Oc3c4N2c2c(O1)c(cc(c2Oc4c(cc3C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1
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	17.367 ± 0.0006 Å
b	17.7559 ± 0.0007 Å
c	17.2211 ± 0.0004 Å
α	90°
β	110.85 ± 0.002°
γ	90°
Cell volume	4962.7 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0817
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
141341 (current)	2015-07-08	cif/ Updating files of 4343432, 4343433, 4343434 Original log message: Adding full bibliography for 4343432--4343434.cif.	4343432.cif
139591	2015-06-25	cif/ Adding structures of 4343432 via cif-deposit CGI script.	4343432.cif