Crystallography Open Database

Information card for entry 7717508

Preview

Coordinates	7717508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 B Br2 F N2 O2
Calculated formula	C12 H6 B Br2 F N2 O2
Title of publication	Contribution of radiative rate constants to crystallization-induced emission enhancement in boron-fused azobenzene complexes.
Authors of publication	Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	3
Pages of publication	1079 - 1086
a	6.975 ± 0.003 Å
b	7.306 ± 0.003 Å
c	14.302 ± 0.006 Å
α	95.261 ± 0.003°
β	97.928 ± 0.006°
γ	115.739 ± 0.007°
Cell volume	640.8 ± 0.5 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
298934 (current)	2025-04-05	cif/ Updating files of 7717506, 7717507, 7717508, 7717509 Original log message: Adding full bibliography for 7717506--7717509.cif.	7717508.cif
295954	2024-11-16	cif/ Adding structures of 7717506, 7717507, 7717508, 7717509 via cif-deposit CGI script.	7717508.cif