Crystallography Open Database

Information card for entry 7243265

Preview

Coordinates	7243265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H84 O16 Ti4
Calculated formula	C46 H84 O16 Ti4
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	12.216 ± 0.006 Å
b	19.637 ± 0.005 Å
c	23.021 ± 0.011 Å
α	90°
β	99.56 ± 0.04°
γ	90°
Cell volume	5446 ± 4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
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	0.0706
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	7243265.cif