Crystallography Open Database

Information card for entry 7715182

Preview

Coordinates	7715182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl20 Te4 Ti
Calculated formula	Cl20 Te4 Ti
Title of publication	(TeCl)4(TiCl4) with isolated Te4Cl16 and TiCl4 molecules and second-harmonic-generation
Authors of publication	Bonnin, Maxime A.; Beier, Klaus; Bayarjargal, Lkhamsuren; Winkler, Björn; Feldmann, Claus
Journal of publication	Dalton Transactions
Year of publication	2024
Journal volume	53
Journal issue	11
Pages of publication	4962 - 4967
a	12.1035 ± 0.0015 Å
b	12.1035 ± 0.0015 Å
c	10.1522 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1487.2 ± 0.3 Å³
Cell temperature	210 K
Ambient diffraction temperature	210 K
Number of distinct elements	3
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0211
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0435
Weighted residual factors for all reflections included in the refinement	0.0438
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation probe	x-ray
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
290972 (current)	2024-04-05	cif/ Updating files of 7715182 Original log message: Adding full bibliography for 7715182.cif.	7715182.cif
289872	2024-02-20	cif/ Adding structures of 7715182 via cif-deposit CGI script.	7715182.cif