Crystallography Open Database

Information card for entry 8100927

Preview

Coordinates	8100927.cif

Structure parameters

Formula	C23 H40 Cl Ir N2 O3
Calculated formula	C23 H40 Cl Ir N2 O3
SMILES	[Ir]12345(Cl)([NH2][C@H](C(=O)N1[C@H](C(=O)OC)CC(C)C)CC(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Crystal structure of chloro-pentamethylcyclopentadienyl-S-leucyl-S- leucyl methylester-iridium(III), C~23~H~40~ClIrN~2~O~3~
Authors of publication	Polborn, Kurt; Hoffmüller, Wilfried; Beck, Wolfgang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2001
Journal volume	216
Journal issue	2
Pages of publication	231 - 232
a	9.339 ± 0.002 Å
b	11.751 ± 0.007 Å
c	23.888 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2621.4 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.075
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.	8100927.cif
103185	2014-02-27	cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100927.cif
100679	2014-02-06	cif/8/ (antanas@lokys.ibt.lt) Adding paper volume.	8100927.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100927.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.	8100927.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/'	8100927.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100927.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.	8100927.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)	8100927.cif