Crystallography Open Database

Information card for entry 4060506

Preview

Coordinates	4060506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H54 Ir2 N2 O P2
Calculated formula	C29 H54 Ir2 N2 O P2
SMILES	[IrH2]123([IrH]4([H]1)([P](C(C)C)(C(C)C)C(C)C)([NH]2c1cccc2cccc([NH]34)c12)C#[O])[P](C(C)C)(C(C)C)C(C)C
Title of publication	Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling
Authors of publication	Jimenez, M. V.; Sola, E.; Lahoz, F. J.; Oro, L. A.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	11
Pages of publication	2722 - 2729
a	8.0028 ± 0.0007 Å
b	18.7066 ± 0.0017 Å
c	21.5672 ± 0.0019 Å
α	90°
β	100.095 ± 0.002°
γ	90°
Cell volume	3178.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178494 (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 4/06/05.	4060506.cif
133637	2015-03-07	cif/4/06/ (antanas@echidna.ibt.lt) Updating bibliography for CIFs 4060505, 4060506.	4060506.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4060506.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4060506.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.	4060506.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.	4060506.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/'	4060506.cif
14	2008-01-13	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4060506.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.	4060506.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)	4060506.cif