Crystallography Open Database

Information card for entry 4061898

Preview

Coordinates	4061898.cif

Structure parameters

Formula	C35 H55 F6 P Ru3
Calculated formula	C35 H55 F6 P Ru3
SMILES	[RuH2]1234567([Ru]89%10%11%12%13([RuH]%14%15%16%17%181([CH]12[C]8%14([C]391C)C)[c]1([c]%18([c]%17([c]%16([c]%151C)C)C)C)C)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Bimetallic Reductive C-C Coupling Reaction Induced by Chemical Oxidation; Formation of a m3-C3 Ring on a Triruthenium Cluster.
Authors of publication	Toshiro Takao; Akiko Inagaki; Eisuke Morotani; Tsubomi Imamura; Hiroharu Suzuki
Journal of publication	Organometallics
Year of publication	2003
a	11.537 ± 0.004 Å
b	14.5807 ± 0.0019 Å
c	22.45 ± 0.003 Å
α	90°
β	100.74 ± 0.03°
γ	90°
Cell volume	3710.4 ± 1.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178515 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/18.	4061898.cif
77584	2013-03-28	cod/ (inesa@sabalas) Correcting uppercase author names in the rest of the COD CIFs.	4061898.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4061898.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4061898.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4061898.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4061898.cif
725	2009-05-14	cif/: Fixing the misspelled _atom_site_symetry_multiplicity tag: saulius@delfinas checks/ > pwd /home/saulius/struct/cod/cif/checks saulius@delfinas checks/ > find ../[2-9]/ -name \*.cif \ \| xargs grep -l _atom_site_symetry_multiplicity \ \| xargs -n1 -t \ perl -i -pe 's/_atom_site_symetry_multiplicity/_atom_site_symmetry_multiplicity/'	4061898.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4061898.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4061898.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4061898.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4061898.cif