Crystallography Open Database

Information card for entry 4085026

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Coordinates	4085026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H66 Cl N3 Zr
Calculated formula	C36 H66 Cl N3 Zr
Title of publication	Remarkably Robust Mono-n-butyl Group IV Dicyclohexylamido Complexes {(Cy)2N}3M(n-butyl) (Cy: cyclohexyl [C6H11], M: Ti, Zr)
Authors of publication	Adler, Christian; Tomaschun, Gabriele; Schmidtmann, Marc; Beckhaus, Rüdiger
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	24
Pages of publication	7011
a	9.7961 ± 0.0004 Å
b	18.6744 ± 0.0007 Å
c	39.6955 ± 0.0015 Å
α	90°
β	90.5218 ± 0.0017°
γ	90°
Cell volume	7261.4 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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