Crystallography Open Database

Information card for entry 4061850

Preview

Coordinates	4061850.cif

Structure parameters

Formula	C36 H53 N Ru3
Calculated formula	C36 H35 N Ru3
SMILES	c1(ccccc1)[N]12[Ru]34567([c]8([c]3([c]4([c]5([c]68C)C)C)C)C)[Ru]34561([c]1([c]5([c]6([c]4([c]31C)C)C)C)C)[Ru]134527[c]2([c]1([c]3([c]4([c]52C)C)C)C)C
Title of publication	Nitrogen-Nitrogen Bond Cleavage of Hydrazine Derivatives by Trinuclear Pentahydride Complex of Ruthenium, (Cp'Ru)3(m-H)3(m3-H)2 (Cp' = h5-C5Me5)
Authors of publication	Yumiko Nakajima; Hiroharu Suzuk
Journal of publication	Organometallics
Year of publication	2003
a	17.489 ± 0.006 Å
b	18.61 ± 0.01 Å
c	11.046 ± 0.005 Å
α	90°
β	106.16 ± 0.03°
γ	90°
Cell volume	3453 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
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.	4061850.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4061850.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.	4061850.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.	4061850.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/'	4061850.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/'	4061850.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4061850.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.	4061850.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)	4061850.cif