Crystallography Open Database

Information card for entry 4060349

Preview

Coordinates	4060349.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ir-I
Formula	C19 H27 F6 I Ir N4 P
Calculated formula	C19 H27 F6 I Ir N4 P
Title of publication	Synthesis and Characterization of a Dicationic Dihydrogen Complex of Iridium with a Bis-carbene Ligand Set
Authors of publication	Vogl, Matthias; Pons, Vincent; Heinekey, D. Michael
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	8
Pages of publication	1832 - 1836
a	13.951 ± 0.0008 Å
b	12.273 ± 0.0008 Å
c	13.842 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2370 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277847 (current)	2022-09-14	cif/ Added space group information derived from the space group operation list using the 'cif_filter' program.	4060349.cif
133831	2015-03-11	cif/4/06/03/ (antanas@echidna.ibt.lt) Updating bibliography for CIFs 4060348, 4060349.	4060349.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4060349.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.	4060349.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.	4060349.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/'	4060349.cif
14	2008-01-13	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4060349.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.	4060349.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)	4060349.cif