Crystallography Open Database

Information card for entry 7021675

Preview

Coordinates	7021675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H59 N5 Ti
Calculated formula	C43 H59 N5 Ti
SMILES	c1(c(cccc1C(C)C)C(C)C)N[Ti]([n]1ccccc1)([n]1ccccc1)(=Nc1c(cccc1C(C)C)C(C)C)N(C)C.c1(ccccc1)C
Title of publication	Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.
Authors of publication	Lorber, Christian; Vendier, Laure
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	34
Pages of publication	12203 - 12219
a	14.4789 ± 0.001 Å
b	15.7622 ± 0.001 Å
c	18.874 ± 0.001 Å
α	90°
β	110.076 ± 0.002°
γ	90°
Cell volume	4045.7 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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