Crystallography Open Database

Information card for entry 4345298

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Structure parameters

Formula	C28 H54 Al Cl3 O12 Ti2
Calculated formula	C28 H54 Al Cl3 O12 Ti2
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	11.041 ± 0.003 Å
b	12.542 ± 0.003 Å
c	14.715 ± 0.004 Å
α	80.35 ± 0.02°
β	68.76 ± 0.02°
γ	85.55 ± 0.02°
Cell volume	1872.1 ± 0.9 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1307
Weighted residual factors for all reflections included in the refinement	0.1377
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4345298.cif
192790	2017-03-03	cif/ Adding structures of 4345297, 4345298, 4345299, 4345300, 4345301, 4345302, 4345303, 4345304, 4345305, 4345306, 4345307 via cif-deposit CGI script.	4345298.cif