Crystallography Open Database

Information card for entry 1573682

Preview

Coordinates	1573682.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Triphenylsulfonium perchlorate
Formula	C18 H15 Cl O4 S
Calculated formula	C18 H15 Cl O4 S
Authors of publication	Artis, Rylan; Callaway, Waylan; Heyward, Elizabeth; Reyes, Naomi; Roberts, Gavin; Van Ostenbridge, Kaitlyn; Padgett, Clifford W.; Lynch, Will E.
Journal of publication	Acta Crystallographica, Section E: Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	2
Pages of publication	114 - 119
a	9.1289 ± 0.0002 Å
b	19.1565 ± 0.0004 Å
c	9.3314 ± 0.0002 Å
α	90°
β	90.611 ± 0.002°
γ	90°
Cell volume	1631.76 ± 0.06 Å³
Cell temperature	99.99 ± 0.17 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1377
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
300305 (current)	2025-07-03	Adding missing bibliography information from the data table sent to the COD by Robert McMeeking (STFC UKRI). cif/ (saulius@pterodaktilis)	1573682.cif
297286	2025-01-11	cif/ Adding structures of 1573681, 1573682, 1573683 via cif-deposit CGI script.	1573682.cif