Crystallography Open Database

Information card for entry 1574180

Preview

Coordinates	1574180.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	T-T
Chemical name	T-T
Formula	C30 H28 B10 S2
Calculated formula	C30 H28 B10 S2
Title of publication	Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation
Authors of publication	Yuhara, Kazuhiro; Tanaka, Kazuo
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	15
Pages of publication	6495 - 6506
a	11.075 ± 0.004 Å
b	19.436 ± 0.008 Å
c	13.485 ± 0.005 Å
α	90°
β	97.585 ± 0.007°
γ	90°
Cell volume	2877.3 ± 1.9 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1658
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300640 (current)	2025-07-06	cif/ Updating files of 1574174, 1574175, 1574176, 1574177, 1574178, 1574179, 1574180 Original log message: Adding full bibliography for 1574174--1574180.cif.	1574180.cif
298479	2025-03-18	cif/ Adding structures of 1574174, 1574175, 1574176, 1574177, 1574178, 1574179, 1574180 via cif-deposit CGI script.	1574180.cif