Crystallography Open Database

Information card for entry 4089068

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Coordinates	4089068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H69 Hf N3
Calculated formula	C37 H69 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	9.8267 ± 0.0004 Å
b	18.5968 ± 0.0008 Å
c	39.7906 ± 0.0017 Å
α	90°
β	90.6034 ± 0.0019°
γ	90°
Cell volume	7271.1 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0371
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.26
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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