Crystallography Open Database

Information card for entry 4085609

Preview

Coordinates	4085609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H34 Au Cl F12 N8 P2 Ru
Calculated formula	C41 H34 Au Cl F12 N8 P2 Ru
SMILES	[Au](Cl)=C1N(C=CN1Cc1ccc2[n]([Ru]34([n]5ccccc5c5[n]3cccc5)([n]3ccccc23)[n]2c(c3[n]4cccc3)cccc2)c1)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Synthesis, Structures, and Biological Studies of Heterobimetallic Au(I)‒Ru(II) Complexes Involving N-Heterocyclic Carbene-Based Multidentate Ligands
Authors of publication	Boselli, Luca; Carraz, Maëlle; Mazères, Serge; Paloque, Lucie; González, Germán; Benoit-Vical, Françoise; Valentin, Alexis; Hemmert, Catherine; Gornitzka, Heinz
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	6
Pages of publication	1046
a	12.26 ± 0.006 Å
b	21.8 ± 0.013 Å
c	32.613 ± 0.018 Å
α	90°
β	90°
γ	90°
Cell volume	8716 ± 8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
198632 (current)	2017-07-11	cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i \| cif_filter --no-exclude-publication-details -h $i \| sponge $i A total of 524 files were changed.	4085609.cif
178745	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/56.	4085609.cif
134857	2015-04-04	cif/ Updating files of 4085605, 4085606, 4085607, 4085608, 4085609 Original log message: Adding full bibliography for 4085605--4085609.cif.	4085609.cif
133786	2015-03-11	cif/ Adding structures of 4085605, 4085606, 4085607, 4085608, 4085609 via cif-deposit CGI script.	4085609.cif