Crystallography Open Database

Information card for entry 4061978

4061977 << 4061978 >> 4061979

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Coordinates	4061978.cif

Structure parameters

Formula	C27 H32 Cl Ir N2
Calculated formula	C27 H32 Cl Ir N2
SMILES	[Ir]123(Cl)(=C4N(C=CN4Cc4ccc(cc4)C)Cc4ccc(cc4)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
Title of publication	Rhodium and Iridium Complexes of N-Heterocyclic Carbenes ..
Authors of publication	Anthony R. Chianese
Journal of publication	Organometallics
Year of publication	2003
a	10.6081 ± 0.0003 Å
b	10.7864 ± 0.0004 Å
c	11.3703 ± 0.0004 Å
α	88.061 ± 0.002°
β	74.354 ± 0.002°
γ	70.792 ± 0.002°
Cell volume	1180.91 ± 0.07 Å³
Cell temperature	183.2 K
Ambient diffraction temperature	183.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
130149 (current)	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4061978.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4061978.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.	4061978.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/'	4061978.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4061978.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.	4061978.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)	4061978.cif