Crystallography Open Database

Information card for entry 2243335

Preview

Coordinates	2243335.cif
Structure factors	2243335.hkl
Original IUCr paper	HTML

Structure parameters

Common name	bufbd02
Chemical name	({[(2,2-Bis{[(2-oxidobenzylidene)amino-κ^2^<i>N</i>,<i>O</i>]methyl}propyl)imino]methyl}phenololato-κ^2^<i>N</i>,<i>O</i>)gallium(III) pyridine monosolvate
Formula	C31 H29 Ga N4 O3
Calculated formula	C31 H29 Ga N4 O3
SMILES	[Ga]12345Oc6c(C=[N]3CC(C[N]4=Cc3ccccc3O1)(C[N]5=Cc1ccccc1O2)C)cccc6.n1ccccc1
Title of publication	Crystal structures of {1,1,1-tris[(salicylaldimino)methyl]ethane}gallium as both a pyridine solvate and an acetonitrile 0.75-solvate and {1,1,1-tris[(salicylaldimino)methyl]ethane}indium dichloromethane solvate
Authors of publication	Ventura, Dominic L.; Brennessel, William W.; Durfee, William S.
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	5
Pages of publication	615 - 620
a	13.359 ± 0.002 Å
b	20.413 ± 0.003 Å
c	9.747 ± 0.0015 Å
α	90°
β	98.326 ± 0.003°
γ	90°
Cell volume	2630 ± 0.7 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
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
Residual factor for all reflections	0.1093
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
250121 (current)	2020-04-04	cif/ hkl/ Adding structures of 2243335, 2243336, 2243337 via cif-deposit CGI script.	2243335.cif 2243335.hkl