Crystallography Open Database

Information card for entry 4342000

4341999 << 4342000 >> 4342001

Preview

Coordinates	4342000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 Cl4 Ga2 N4
Calculated formula	C26 H32 Cl4 Ga2 N4
SMILES	[Ga]123N4C5=CC=CC=CC5=[N]1CCCCCC[N]2=C1C=CC=CC=C1N3CCCCCC4.[Ga]([Cl-])(Cl)(Cl)Cl
Title of publication	Synthesis and Characterization of Mononuclear, Pseudotetrahedral Cobalt(III) Compounds.
Authors of publication	Kozhukh, Julia; Minier, Mikael A.; Lippard, Stephen J.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	2
Pages of publication	418 - 424
a	21.986 ± 0.0015 Å
b	21.986 ± 0.0015 Å
c	11.9576 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	5005.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179523 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20.	4342000.cif
130487	2015-02-04	cif/ Updating files of 4341997, 4341998, 4341999, 4342000 Original log message: Adding full bibliography for 4341997--4342000.cif.	4342000.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4342000.cif
129151	2014-12-30	cif/ Adding structures of 4341997, 4341998, 4341999, 4342000 via cif-deposit CGI script.	4342000.cif