Crystallography Open Database

Information card for entry 4089069

Preview

Coordinates	4089069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72.5 H89 B F15 N3 Ti
Calculated formula	C72.4994 H88.9992 B F15 N3 Ti
Title of publication	Zwitterionic d0Metal Complexes [(Cy2N)3M]+[(μ-Me)B(C6F5)3]−(M = Ti, Zr, Hf) Derived from Tris(dicyclohexylamido)methyl Metal Precursors
Authors of publication	Adler, Christian; Frerichs, Nils; Schmidtmann, Marc; Beckhaus, Rüdiger
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	21
Pages of publication	3728
a	16.927 ± 0.0004 Å
b	16.927 ± 0.0004 Å
c	39.8167 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	9880 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1272
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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