Crystallography Open Database

Information card for entry 7048453

Preview

Coordinates	7048453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H54 Cl N O Ti
Calculated formula	C43 H54 Cl N O Ti
Title of publication	FLP behaviour of cationic titanium complexes with tridentate Cp,O,N-ligands: highly efficient syntheses and activation reactions of C-X bonds (X = Cl, F).
Authors of publication	Fischer, Malte; Schwitalla, Kevin; Baues, Svenja; Schmidtmann, Marc; Beckhaus, Ruediger
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	4
Pages of publication	1516 - 1523
a	10.0365 ± 0.0004 Å
b	12.8104 ± 0.0005 Å
c	14.1398 ± 0.0005 Å
α	93.3822 ± 0.0013°
β	92.2358 ± 0.0014°
γ	107.672 ± 0.0013°
Cell volume	1726.07 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
224072 (current)	2019-11-07	cif/ Updating files of 7048452, 7048453, 7048454, 7048455, 7048456, 7048457 Original log message: Adding full bibliography for 7048452--7048457.cif.	7048453.cif
212938	2019-01-11	cif/ Adding structures of 7048452, 7048453, 7048454, 7048455, 7048456, 7048457 via cif-deposit CGI script.	7048453.cif