Crystallography Open Database

Information card for entry 8101882

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Coordinates	8101882.cif

Structure parameters

Chemical name	bis(1,10-phenanthroline)bis(2,4-dimethylbenzoato)tetrakis(μ-2,4- dimethylbenzoato-O,O')disamarium(III)
Formula	C78 H70 N4 O12 Sm2
Calculated formula	C78 H70 N4 O12 Sm2
Title of publication	Crystal structure of bis(1,10-phenanthroline-N,N')bis(2,4-dimethylbenzoato- O,O')tetrakis(μ-2,4-dimethylbenzoato-O,O')disamarium(III), Sm~2~(C~9~H~9~O~2~)~6~(C~12~H~8~N~2~)~2~
Authors of publication	Zhang, T.-T.; Li, X.; Ju, Y.-L.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	1
Pages of publication	9 - 11
a	27.523 ± 0.003 Å
b	15.6987 ± 0.0015 Å
c	16.0479 ± 0.0015 Å
α	90°
β	101.123 ± 0.002°
γ	90°
Cell volume	6803.7 ± 1.2 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
176728 (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 8.	8101882.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 {}'	8101882.cif
107946	2014-03-25	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8101882.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8101882.cif
12621	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8101882 via cif-deposit CGI script.	8101882.cif