Crystallography Open Database

Information card for entry 4080994

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Coordinates	4080994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H53 N5 Ti
Calculated formula	C39 H53 N5 Ti
Title of publication	Titanium-Catalyzed Hydrohydrazination of Carbodiimides
Authors of publication	Schweizer, Peter D.; Wadepohl, Hubert; Gade, Lutz H.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	13
Pages of publication	3697
a	12.0332 ± 0.0003 Å
b	13.233 ± 0.0003 Å
c	13.8121 ± 0.0003 Å
α	102.414 ± 0.002°
β	101.959 ± 0.002°
γ	116.935 ± 0.003°
Cell volume	1793.94 ± 0.1 Å³
Cell temperature	115 ± 1 K
Ambient diffraction temperature	115 ± 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	0.0453
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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