Crystallography Open Database

Information card for entry 4343434

Preview

Coordinates	4343434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H81 N O5 U
Calculated formula	C51 H81 N O5 U
SMILES	[U]123456(Oc7c8N2c2c(O1)c(cc(c2Oc8c(cc7C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.CCCCC
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	14.4325 ± 0.0002 Å
b	26.4478 ± 0.0004 Å
c	14.9142 ± 0.0002 Å
α	90°
β	118.858 ± 0.001°
γ	90°
Cell volume	4985.92 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0721
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	4343434.cif
139593	2015-06-25	cif/ Adding structures of 4343434 via cif-deposit CGI script.	4343434.cif