Crystallography Open Database

Information card for entry 7243267

Preview

Coordinates	7243267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H96 O28 Ti6
Calculated formula	C80 H96 O28 Ti6
Title of publication	Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters
Authors of publication	Kazimierczuk, Katarzyna; Milanesio, Marco; Dołęga, Anna; Palin, Luca; Walencik, Maja; Jurkowski, Michał; Conterosito, Eleonora
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	40
Pages of publication	25068 - 25078
a	14.9415 ± 0.0019 Å
b	15.493 ± 0.002 Å
c	20.12 ± 0.003 Å
α	72.82 ± 0.011°
β	83.873 ± 0.011°
γ	78.346 ± 0.011°
Cell volume	4352.5 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
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
267740 (current)	2021-07-25	cif/ Adding structures of 7243265, 7243266, 7243267 via cif-deposit CGI script.	7243267.cif