Crystallography Open Database

Information card for entry 4344052

Preview

Coordinates	4344052.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	catena-{[mu2-hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)]-thallium(I)} methanol solvate (1:1)
Chemical name	catena-{[mu2-hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)]-thallium(I)} methanol solvate (1:1)
Formula	C25 H38 B N6 O S3 Tl
Calculated formula	C25 H38 B N6 O S3 Tl
Title of publication	Photoinduced Reactivity of the Soft Hydrotris(6-tert-butyl-3-thiopyridazinyl)borate Scorpionate Ligand in Sodium, Potassium, and Thallium Salts.
Authors of publication	Tüchler, Michael; Belaj, Ferdinand; Raber, Georg; Neshchadin, Dmytro; Mösch-Zanetti, Nadia C
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	17
Pages of publication	8168 - 8170
a	20.6029 ± 0.0007 Å
b	22.8353 ± 0.0008 Å
c	27.8886 ± 0.001 Å
α	87.2566 ± 0.0017°
β	78.5725 ± 0.0015°
γ	84.3548 ± 0.0016°
Cell volume	12793 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
160514 (current)	2015-10-06	cif/ Updating files of 4344052 Original log message: Adding full bibliography for 4344052.cif.	4344052.cif
153336	2015-08-12	cif/ Adding structures of 4344052 via cif-deposit CGI script.	4344052.cif