Crystallography Open Database

Information card for entry 8102226

Preview

Coordinates	8102226.cif

Structure parameters

Chemical name	bis(2,2'-bipyridine)bis(3-iodobenzoate-O,O')tetrakis(μ-(3-iodobenzoate- O,O'))disamarium(III)
Formula	C31 H20 I3 N2 O6 Sm
Calculated formula	C62 H40 I6 N4 O12 Sm2
Title of publication	Crystal structure of bis(2,2'-bipyridine)bis(3-iodobenzoate-O,O')tetrakis (μ-3-iodobenzoate-O,O')disamarium(III), Sm~2~(C~10~H~8~N~2~)~2~(C~7~H~4~O~2~I)~6~
Authors of publication	Xu, Jin-Sheng; Zhang, Chun-Hua; Kuang, Dai-Zhi; Feng, Yong-Lan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2007
Journal volume	222
Journal issue	4
Pages of publication	442 - 444
a	10.952 ± 0.002 Å
b	12.31 ± 0.003 Å
c	12.553 ± 0.003 Å
α	81.549 ± 0.003°
β	82.404 ± 0.004°
γ	78.348 ± 0.003°
Cell volume	1630.3 ± 0.6 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	8102226.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 {}'	8102226.cif
108390	2014-03-31	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102226.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102226.cif
12965	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102226 via cif-deposit CGI script.	8102226.cif