Crystallography Open Database

Information card for entry 4089067

Preview

Coordinates	4089067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H66 Cl Hf N3
Calculated formula	C36 H66 Cl Hf N3
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	9.7839 ± 0.0003 Å
b	10.4952 ± 0.0003 Å
c	39.8958 ± 0.0011 Å
α	86.246 ± 0.0014°
β	83.4103 ± 0.0013°
γ	62.6492 ± 0.0013°
Cell volume	3614.28 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0769
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237962 (current)	2019-11-24	cif/ Adding structures of 4089067, 4089068, 4089069, 4089070, 4089071 via cif-deposit CGI script.	4089067.cif