Crystallography Open Database

Information card for entry 4061997

4061996 << 4061997 >> 4061998

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Coordinates	4061997.cif

Structure parameters

Formula	C21 H30 Cl Co N6 O6
Calculated formula	C21 H30 Cl Co N6 O6
SMILES	C1[N]2(Cc3ccccn3)[C@H](C)C(C)=N(=O)[Co]3412[n]1ccccc1C[NH]3[C@@H](C)C(C)=[N]4O.[O-]Cl(=O)(=O)=O.C1[N]2(Cc3ccccn3)[C@@H](C)C(C)=N(=O)[Co]3412[n]1ccccc1C[NH]3[C@H](C)C(C)=[N]4O.[O-]Cl(=O)(=O)=O
Journal of publication	Organometallics
Year of publication	2003
a	10.84 ± 0.003 Å
b	14.93 ± 0.001 Å
c	31.751 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5138.6 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P c a n
Hall space group symbol	-P 2n 2c
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.	4061997.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4061997.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.	4061997.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/'	4061997.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4061997.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.	4061997.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)	4061997.cif