Crystallography Open Database

Information card for entry 7133345

Preview

Coordinates	7133345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H39 N3 Ti
Calculated formula	C37 H39 N3 Ti
Title of publication	Coordination-induced reductive elimination from a titanium(IV) complex.
Authors of publication	Fritsche, Paul; Geyer, Lucia; Czernetzki, Corinna; Hierlmeier, Gabriele
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	68
Pages of publication	9030 - 9033
a	16.6089 ± 0.0002 Å
b	14.6227 ± 0.0002 Å
c	24.9167 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6051.44 ± 0.13 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294438 (current)	2024-09-06	cif/ Updating files of 7133345, 7133346, 7133347, 7133348 Original log message: Adding full bibliography for 7133345--7133348.cif.	7133345.cif
293414	2024-07-16	cif/ Adding structures of 7133345, 7133346, 7133347, 7133348 via cif-deposit CGI script.	7133345.cif