Crystallography Open Database

Information card for entry 1507945

Preview

Coordinates	1507945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H128 Dy2 K N6 O10 Si8
Calculated formula	C52 H128 Dy2 K N6 O10 Si8
SMILES	[Dy]1([O]2CCCC2)([N]([Si](C)(C)C)[Si](C)(C)C)([N]([Si](C)(C)C)[Si](C)(C)C)[N]2[Dy]([O]3CCCC3)([N]([Si](C)(C)C)[Si](C)(C)C)([N]([Si](C)(C)C)[Si](C)(C)C)[N]1=2.[K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([O]1CCCC1)[O]1CCCC1
Title of publication	Strong exchange and magnetic blocking in N₂³⁻-radical-bridged lanthanide complexes.
Authors of publication	Rinehart, Jeffrey D.; Fang, Ming; Evans, William J.; Long, Jeffrey R.
Journal of publication	Nature chemistry
Year of publication	2011
Journal volume	3
Journal issue	7
Pages of publication	538 - 542
a	10.2002 ± 0.0005 Å
b	13.9169 ± 0.0007 Å
c	14.9513 ± 0.0008 Å
α	83.367 ± 0.0005°
β	74.6788 ± 0.0005°
γ	72.8161 ± 0.0005°
Cell volume	1953.99 ± 0.17 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0162
Residual factor for significantly intense reflections	0.0155
Weighted residual factors for significantly intense reflections	0.0405
Weighted residual factors for all reflections included in the refinement	0.041
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
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.	1507945.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 {}'	1507945.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507945.cif
62491	2012-07-09	cif/ Adding structures of 1507945 via cif-deposit CGI script.	1507945.cif