Crystallography Open Database

Information card for entry 7043346

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Structure parameters

Chemical name	Acetonitriletriphenylphosphinetris(2,6-dimetylphenylselenolato)technetium(III)
Formula	C44 H45 N P Se3 Tc
Calculated formula	C44 H45 N P Se3 Tc
SMILES	[Tc]([Se]c1c(C)cccc1C)([Se]c1c(cccc1C)C)([Se]c1c(C)cccc1C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[N]#CC
Title of publication	Technetium Complexes with Arylselenolato and Aryltellurolato Ligands
Authors of publication	Noschang Cabral, Bruno; Kirsten, Lars; Hagenbach, Adelheid; Piquini, Paulo Cesar; Patzschke, Michael; Lang, Ernesto; Abram, Ulrich
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.7142 ± 0.0006 Å
b	11.2883 ± 0.0007 Å
c	18.3014 ± 0.0012 Å
α	86.201 ± 0.002°
β	79.812 ± 0.002°
γ	68.285 ± 0.002°
Cell volume	2024 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7043346.cif
197876	2017-06-16	cif/ Adding structures of 7043344, 7043345, 7043346, 7043347 via cif-deposit CGI script.	7043346.cif