Crystallography Open Database

Information card for entry 4088351

Preview

Coordinates	4088351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H44 Cl5 N Ti
Calculated formula	C27 H44 Cl5 N Ti
Title of publication	Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands
Authors of publication	Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	5
Pages of publication	785
a	10.0627 ± 0.0002 Å
b	17.494 ± 0.0003 Å
c	17.658 ± 0.0003 Å
α	90°
β	105.034 ± 0.001°
γ	90°
Cell volume	3002.06 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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