Crystallography Open Database

Information card for entry 4339805

Preview

Coordinates	4339805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H59 I6 N U3
Calculated formula	C36 H59 I6 N U3
SMILES	[U]12345678([I][U]9%10%11%12%13%14([I][U]%15%16%17%18([I]9)([I]1)([I]5)(N6%10)[c]1([c]%18([c]%15([c]%16([c]%171C)C)C)C)C)([I]2)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)[c]1([c]7([c]8([c]3([c]41C)C)C)C)C.CCCCCC
Title of publication	Analysis of uranium azide and nitride complexes by atmospheric pressure chemical ionization mass spectrometry.
Authors of publication	Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.; Greaves, John
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	8008 - 8018
a	12.3088 ± 0.0012 Å
b	25.188 ± 0.002 Å
c	16.3565 ± 0.0016 Å
α	90°
β	109.486 ± 0.002°
γ	90°
Cell volume	4780.6 ± 0.8 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 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	0.0281
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.0437
Weighted residual factors for all reflections included in the refinement	0.0456
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
179501 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98.	4339805.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4339805.cif
117552	2014-06-15	cif/ Adding structures of 4339805 via cif-deposit CGI script.	4339805.cif