Crystallography Open Database

Information card for entry 4115955

Preview

Coordinates	4115955.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Λambda‒Tris(2,2'-bibpyridyl)ruthenium(II) Δelta‒Tris(2,2'-bibpyridyl)osmium(II) Tetra(hexafluorophosphate)
Formula	C60 H48 F24 N12 Os P4 Ru
Calculated formula	C60 H48 F24 N12 Os P4 Ru
SMILES	[Os]123([n]4c(cccc4)c4cccc[n]34)([n]3c(c4cccc[n]14)cccc3)[n]1c(c3cccc[n]23)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[Ru]123([n]4c(c5cccc[n]35)cccc4)([n]3c(c4cccc[n]14)cccc3)[n]1c(c3cccc[n]23)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Crystal Engineering as a Tool for Directed Radiationless Energy Transfer in Layered {Λ-[Ru(bpy)3]Δ-[Os(bpy)3]}(PF6)4
Authors of publication	Josef Breu; Cornelius Kratzer; Hartmut Yersin
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	2548 - 2555
a	10.7012 ± 0.0005 Å
b	10.7012 ± 0.0005 Å
c	16.349 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1621.39 ± 0.15 Å³
Cell temperature	203 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
Space group number	150
Hermann-Mauguin space group symbol	P 3 2 1
Hall space group symbol	P 3 2"
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections included in the refinement	0.862
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178930 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/59.	4115955.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4115955.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115955.cif
70519	2012-12-26	cif/ Adding structures of 4115955 via cif-deposit CGI script.	4115955.cif