Crystallography Open Database

Information card for entry 1556661

Preview

Coordinates	1556661.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hexakis[hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)-zinc iodide] n-hexane solvate (1:18)
Chemical name	hexakis[hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)-zinc iodide] n-hexane solvate (1:18)
Formula	C144 H204 B6 I6 N36 S18 Zn6
Calculated formula	C144 H204 B6 I6 N36 S18 Zn6
Title of publication	Mono- and Hexanuclear Zinc Halide Complexes with Soft Thiopyridazine Based Scorpionate Ligands
Authors of publication	Tuchler, M.; Rambock, M.; Glanzer, S.; Zangger, K.; Belaj, F.; Mosch-Zanetti, N.C.
Journal of publication	Inorganics
Year of publication	2019
Journal volume	7
Pages of publication	24
a	29.161 ± 0.003 Å
b	30.102 ± 0.003 Å
c	31.045 ± 0.003 Å
α	90°
β	102.323 ± 0.002°
γ	90°
Cell volume	26624 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
245381 (current)	2019-12-19	cif/ Adding structures of 1556661, 1556662, 1556663 via cif-deposit CGI script.	1556661.cif