Crystallography Open Database

Information card for entry 7055244

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Coordinates	7055244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.5 H49 Cl3 N4 Ti
Calculated formula	C44.5 H49 Cl3 N4 Ti
Title of publication	Synthesis of Ti, Zr, and Hf complexes with a new tetra-azane ligand by one-pot HCl-elimination and their properties as catalysts for production of UHMWPE
Authors of publication	Ji, Xiangdong; Yao, Wei; Luo, Xuyang; Gao, Wei; Mu, Ying
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	3
Pages of publication	2071
a	10.7714 ± 0.0008 Å
b	11.1493 ± 0.0008 Å
c	19.3176 ± 0.0014 Å
α	100.572 ± 0.001°
β	101.732 ± 0.001°
γ	104.877 ± 0.001°
Cell volume	2126.1 ± 0.3 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 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	0.0756
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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