Crystallography Open Database

Information card for entry 1515664

Preview

Coordinates	1515664.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H162 N9 O3 Si18 U3
Calculated formula	C57 H162 N9 O3 Si18 U3
Title of publication	Carbon monoxide coupling and functionalisation at a simple uranium coordination complex
Authors of publication	Arnold, Polly L.; Turner, Zoë R.; Bellabarba, Ronan M.; Tooze, Robert P.
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	1
Pages of publication	77
a	30.0251 ± 0.0006 Å
b	15.6531 ± 0.0003 Å
c	22.4759 ± 0.0004 Å
α	90°
β	103.691 ± 0.002°
γ	90°
Cell volume	10263.2 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.1118
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.164
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515664.cif
111897	2014-04-28	cif/ Adding structures of 1515663, 1515664 via cif-deposit CGI script.	1515664.cif