Crystallography Open Database

Information card for entry 1575813

Preview

Coordinates	1575813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30 F18 N2 O8 Ti2
Calculated formula	C21 H30 F18 N2 O8 Ti2
Title of publication	Exploring untapped potential of the molecular precursor approach to control the fluorine-doping in mesostructured titania for acid catalysis
Authors of publication	Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank
Journal of publication	Catalysis Science & Technology
Year of publication	2025
a	19.5163 ± 0.0002 Å
b	17.4673 ± 0.0002 Å
c	19.7943 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6747.82 ± 0.15 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
302169 (current)	2025-09-18	cif/ Adding structures of 1575809, 1575810, 1575811, 1575812, 1575813, 1575814, 1575815, 1575816 via cif-deposit CGI script.	1575813.cif