Crystallography Open Database

Information card for entry 2243337

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Coordinates	2243337.cif
Structure factors	2243337.hkl
Original IUCr paper	HTML

Structure parameters

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>)indium(III) dichloromethane monosolvate
Formula	C27 H26 Cl2 In N3 O3
Calculated formula	C27 H26 Cl2 In N3 O3
SMILES	[In]12345Oc6c(C=[N]3CC(C[N]4=Cc3ccccc3O1)(C[N]5=Cc1ccccc1O2)C)cccc6.ClCCl
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	10.0704 ± 0.0002 Å
b	16.2514 ± 0.0004 Å
c	16.1749 ± 0.0004 Å
α	90°
β	99.13 ± 0.002°
γ	90°
Cell volume	2613.62 ± 0.11 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
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	0.037
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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.	2243337.cif 2243337.hkl