Crystallography Open Database

Information card for entry 1101145

Preview

Coordinates	1101145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H74 Ga N27 O40
Calculated formula	C36 H74 Ga N27 O40
SMILES	[Ga]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=C1N2C3N4C(=O)N5C3N1CN1C(=O)N3C6N(C(=O)N(C5)C16)CN1C(=O)N5C6N(C(=O)N(C3)C16)CN1C(=O)N3C6N(C(=O)N(C5)C16)CN1C(=O)N5C6N(C(=O)N(C3)C16)CN1C(=O)N(C3N(C(=O)N(C5)C13)C4)C2.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes
Authors of publication	Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4133 - 4135
a	12.8081 ± 0.0004 Å
b	22.7793 ± 0.0008 Å
c	21.5383 ± 0.0006 Å
α	90°
β	93.278 ± 0.001°
γ	90°
Cell volume	6273.7 ± 0.3 Å³
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209435 (current)	2018-08-07	cif/1/10/11/ Updating bibliography in entries 1101145, 1101146, 1101147.	1101145.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1101145.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1101145.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1101145.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.	1101145.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.	1101145.cif
629	2009-04-14	Correcting author names and restoring bibliography and data source information in the 1/110114[567].cif entries.	1101145.cif
628	2009-04-14	Fixing incorrect tag name: _geom_bond_atom_site_symbol_... -> _geom_bond_atom_site_label_... in the 1/110114[567].cif CIFs.	1101145.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/'	1101145.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	1101145.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.	1101145.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)	1101145.cif