Crystallography Open Database

Information card for entry 1571206

Preview

Coordinates	1571206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H59 Cl4 N2 P2 Ti
Calculated formula	C34 H59 Cl4 N2 P2 Ti
Title of publication	Pendulum-like hemilability in a Ti-based frustrated Lewis Trio.
Authors of publication	Kounalis, Errikos; van Tongeren, Dylan; Melnikov, Stanislav; Lutz, Martin; Broere, Daniël L J
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	15
Pages of publication	5555 - 5563
a	16.8812 ± 0.0014 Å
b	16.61 ± 0.0011 Å
c	15.6315 ± 0.0009 Å
α	90°
β	111.688 ± 0.003°
γ	90°
Cell volume	4072.7 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1489
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1625
Weighted residual factors for all reflections included in the refinement	0.1987
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
291584 (current)	2024-05-05	cif/ Updating files of 1571205, 1571206, 1571207, 1571208, 1571209 Original log message: Adding full bibliography for 1571205--1571209.cif.	1571206.cif
290415	2024-03-09	cif/ Adding structures of 1571205, 1571206, 1571207, 1571208, 1571209 via cif-deposit CGI script.	1571206.cif