Crystallography Open Database

Information card for entry 4079043

Preview

Coordinates	4079043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H51 Co Ru2
Calculated formula	C31 H51 Co Ru2
SMILES	[Ru]12345678([c]9([c]2([c]3([c]4([c]59C)C)C)C)C)[Ru]23459%10([H]6)([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)[Co]23451([H]7)([H]9)([H]8%10)[c]1([c]2([c]3([c]4([c]51C)C)C)CC)C
Title of publication	Synthesis of a Heterometallic Trinuclear Cluster Containing Ruthenium and Cobalt and Its Reactivity with Internal Alkynes
Authors of publication	Nagaoka, Masahiro; Takao, Toshiro; Suzuki, Hiroharu
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	18
Pages of publication	6547
a	10.8082 ± 0.0008 Å
b	11.1196 ± 0.001 Å
c	15.3516 ± 0.0011 Å
α	68.59 ± 0.003°
β	73.761 ± 0.002°
γ	61.346 ± 0.002°
Cell volume	1494.9 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
178679 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/90.	4079043.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 {}'	4079043.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079043.cif
72291	2013-01-21	cif/ Adding structures of 4079043, 4079044 via cif-deposit CGI script.	4079043.cif