Crystallography Open Database

Information card for entry 4119168

4119167 << 4119168 >> 4119169

Preview

Coordinates	4119168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H132 Cl2 F4 N6 O2 Si12 U2
Calculated formula	C52 H132 Cl2 F4 N6 O2 Si12 U2
SMILES	C[Si](C)(C)N([U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(Oc1c(F)c(F)c(O[U](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)Cl)c(c1F)F)Cl)[Si](C)(C)C.CCCCC.CCCCC
Title of publication	Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes
Authors of publication	Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	511 - 518
a	11.9455 ± 0.001 Å
b	19.6016 ± 0.0016 Å
c	17.9892 ± 0.0015 Å
α	90°
β	99.943 ± 0.005°
γ	90°
Cell volume	4148.9 ± 0.6 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	8
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	0.0679
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.191
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
178962 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/91.	4119168.cif
103238	2014-02-27	cif/ Adding structures of 4119168 via cif-deposit CGI script.	4119168.cif