Crystallography Open Database

Information card for entry 4312024

4312023 << 4312024 >> 4312025

Preview

Coordinates	4312024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H21 Cl F12 N5 O2 P2 Ru
Calculated formula	C15 H21 Cl F12 N5 O2 P2 Ru
SMILES	[Ru]12(Cl)([n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)([NH3])[NH3].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O
Title of publication	Influence of Terpyridine as π-Acceptor Ligand on the Kinetics and Mechanism of the Reaction of NO with Ruthenium(III) Complexes
Authors of publication	Almut Czap; Frank W. Heinemann; Rudi van Eldik
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7832 - 7843
a	9.193 ± 0.0006 Å
b	14.7697 ± 0.0009 Å
c	17.7996 ± 0.0009 Å
α	90°
β	90.459 ± 0.005°
γ	90°
Cell volume	2416.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
192782 (current)	2017-03-02	cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items.	4312024.cif
179159	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/20.	4312024.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312024.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312024.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4312024.cif
3529	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4312024 via cif-deposit CGI script.	4312024.cif