Crystallography Open Database

Information card for entry 4345304

Preview

Coordinates	4345304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 Cl2 O4 Ti2
Calculated formula	C16 H24 Cl2 O4 Ti2
SMILES	[cH]12[cH]3[cH]4[cH]5[cH]1[Ti]162345(Cl)[O](CC[O]1C)[Ti]12345([cH]7[cH]4[cH]3[cH]2[cH]17)(Cl)[O]6CC[O]5C
Title of publication	Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds
Authors of publication	Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr
Journal of publication	Inorganic Chemistry
Year of publication	2017
a	8.6249 ± 0.0019 Å
b	7.1156 ± 0.0018 Å
c	15.685 ± 0.005 Å
α	90°
β	101.98 ± 0.04°
γ	90°
Cell volume	941.6 ± 0.5 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 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	0.0662
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
192790 (current)	2017-03-03	cif/ Adding structures of 4345297, 4345298, 4345299, 4345300, 4345301, 4345302, 4345303, 4345304, 4345305, 4345306, 4345307 via cif-deposit CGI script.	4345304.cif