Crystallography Open Database

Information card for entry 7028489

Preview

Coordinates	7028489.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[Mn(bipy)2(SCN)][Mn(bipy)](AsS4)}2
Chemical name	{[Mn(bipy)2(SCN)][Mn(bipy)](AsS4)}2
Formula	C62 H48 As2 Mn4 N14 S10
Calculated formula	C62 H48 As2 Mn4 N14 S10
SMILES	S1[As]2(=[S][Mn]34([n]5ccccc5c5cccc[n]35)([n]3ccccc3c3[n]4cccc3)N=C=S)S[Mn]345([S]2[Mn]261([n]1c(c7[n]2cccc7)cccc1)[S]=[As](S3)(S[Mn]12([n]3ccccc3c3cccc[n]13)([n]1ccccc1c1cccc[n]21)N=C=S)[S]46)[n]1ccccc1c1cccc[n]51
Title of publication	Novel thioarsenates {[Mn(2,2'-bipy)2(SCN)][Mn(2,2'-bipy)](As(V)S4)}2 and {[Mn(2,2'-bipy)2(SCN)]2[As(III)2(S2)2S2]}: introducing an anionic second ligand to modify Mn(II) complex cations of 2,2'-bipyridine.
Authors of publication	Liu, Guang-Ning; Guo, Guo-Cong; Wang, Ming-Sheng; Huang, Jin-Shun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	10
Pages of publication	3931 - 3938
a	8.8914 ± 0.0014 Å
b	10.6839 ± 0.0018 Å
c	19.448 ± 0.003 Å
α	77.252 ± 0.013°
β	86.528 ± 0.013°
γ	71.081 ± 0.012°
Cell volume	1704.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1147
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
179990 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/84.	7028489.cif
171772	2015-12-31	cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries.	7028489.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 {}'	7028489.cif
105341	2014-03-12	cif/ Adding structures of 7028489, 7028490 via cif-deposit CGI script.	7028489.cif