Crystallography Open Database

Information card for entry 7133347

Preview

Coordinates	7133347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H55 N3 Ti
Calculated formula	C45 H55 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	10.1395 ± 0.0001 Å
b	12.8171 ± 0.0001 Å
c	16.6592 ± 0.0001 Å
α	71.421 ± 0.001°
β	85.313 ± 0.001°
γ	66.806 ± 0.001°
Cell volume	1883.94 ± 0.03 Å³
Cell temperature	99.98 ± 0.1 K
Ambient diffraction temperature	99.98 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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.	7133347.cif
293414	2024-07-16	cif/ Adding structures of 7133345, 7133346, 7133347, 7133348 via cif-deposit CGI script.	7133347.cif