Crystallography Open Database

Information card for entry 7043347

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Coordinates	7043347.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Acetonitriletriphenylphosphinetris(2,4,6-trimetylphenyltelurolato)technetium(III)
Formula	C47 H51 N P Tc Te3
Calculated formula	C47 H51 N P Tc Te3
SMILES	c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Tc]([Te]c1c(C)cc(cc1C)C)([Te]c1c(cc(cc1C)C)C)([Te]c1c(cc(cc1C)C)C)[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	11.344 ± 0.0006 Å
b	18.5139 ± 0.001 Å
c	21.8268 ± 0.0012 Å
α	87.249 ± 0.002°
β	83.169 ± 0.002°
γ	89.829 ± 0.002°
Cell volume	4546.3 ± 0.4 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	0.0851
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
197876 (current)	2017-06-16	cif/ Adding structures of 7043344, 7043345, 7043346, 7043347 via cif-deposit CGI script.	7043347.cif