Crystallography Open Database

Information card for entry 4301033

Preview

Coordinates	4301033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H91 Cl4 Co4 N8 O30
Calculated formula	C68 H91 Cl4 Co4 N8 O30
SMILES	[Co]123456[Co]789([OH][Co]%10%11%12%13%14[Co]%15%16%17([OH]1)([O]%10c1c%10cc(cc1C=[N]%14[C@H]1[C@H]([N]%13=Cc%13c([O]%11%15)c(C=[N]%17[C@H]%11[C@H]([N]%16=C%10)CCCC%11)cc(c%13)C)CCCC1)C)O[C@H](O%12)C)([O]2c1c2cc(cc1C=[N]5[C@H]1[C@H]([N]6=Cc5c([O]37)c(cc(c5)C)C=[N]8[C@H]3[C@H]([N]9=C2)CCCC3)CCCC1)C)O[C@H](O4)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.OC.OC.OC
Title of publication	Novel Chiral "Calixsalen" Macrocycle and Chiral Robson-type Macrocyclic Complexes
Authors of publication	Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	232 - 241
a	16.97 ± 0.005 Å
b	19.821 ± 0.005 Å
c	23.093 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	7768 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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
Duplicate of	4308425
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210267 (current)	2018-08-31	cif/4/30/ Updating bibliography in entries 4301029-4301036, 4308421-4308428. Marking entries 4301029-4301036 as duplicates of entries 4308421-4308428.	4301033.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4301033.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301033.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4301033.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.	4301033.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/'	4301033.cif
14	2008-01-13	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4301033.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.	4301033.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)	4301033.cif