Crystallography Open Database

Information card for entry 7237888

Preview

Coordinates	7237888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H56 Cl2 F30 N8 O12
Calculated formula	C103 H56 Cl2 F30 N8 O12
Title of publication	Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes
Authors of publication	Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	29
Pages of publication	8847
a	13.6508 ± 0.0015 Å
b	13.678 ± 0.001 Å
c	13.714 ± 0.0013 Å
α	80.163 ± 0.007°
β	74.923 ± 0.009°
γ	71.683 ± 0.008°
Cell volume	2336.1 ± 0.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1199
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1809
Weighted residual factors for all reflections included in the refinement	0.2146
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238707 (current)	2019-11-24	cif/ Adding structures of 7237888 via cif-deposit CGI script.	7237888.cif