Crystallography Open Database

Information card for entry 7051111

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Coordinates	7051111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H49 N4 Na O9 Zn
Calculated formula	C48 H27 N4 Na O9 Zn
SMILES	[n]12c3C(=c4n5c(=C(c6[n]7c(=C(c8n(c(C(=c1cc3)c1ccc(cc1)C(=O)O)cc8)[Zn]257[OH2])c1ccc(cc1)C(=O)O)cc6)c1ccc(cc1)C(=O)O)cc4)c1ccc(cc1)C(=O)[O-].[Na+]
Authors of publication	Diskin-Posner, Yael; Goldberg, I.
Journal of publication	New Journal of Chemistry
Year of publication	2001
Journal volume	25
Journal issue	7
Pages of publication	899 - 904
a	10.864 ± 0.0007 Å
b	21.562 ± 0.0011 Å
c	45.165 ± 0.003 Å
α	90°
β	93.858 ± 0.002°
γ	90°
Cell volume	10555.9 ± 1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7051111.cif
183806	2016-06-20	cif/4-7: Fixing some wrong Z values.	7051111.cif
180065	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/11.	7051111.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	7051111.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051111.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.	7051111.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.	7051111.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/'	7051111.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7051111.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.	7051111.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)	7051111.cif