Crystallography Open Database

Information card for entry 1575814

Preview

Coordinates	1575814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H40 F24 N4 O6 Ti2
Calculated formula	C31 H40 F24 N4 O6 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	24.6382 ± 0.0002 Å
b	12.0552 ± 0.0001 Å
c	62.6466 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	18607.2 ± 0.2 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100 ± 0.3 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1575814.cif