Crystallography Open Database

Information card for entry 7237585

Preview

Coordinates	7237585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H20 B2 F34 N4 O4
Calculated formula	C72 H20 B2 F34 N4 O4
Title of publication	Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers
Authors of publication	Ono, Toshikazu; Hisaeda, Yoshio
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	10
Pages of publication	2829
a	20.0151 ± 0.0014 Å
b	19.7169 ± 0.0013 Å
c	16.4873 ± 0.0011 Å
α	90°
β	102.466 ± 0.001°
γ	90°
Cell volume	6353.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0626
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.1076
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237789 (current)	2019-11-24	cif/ Adding structures of 7237581, 7237582, 7237583, 7237584, 7237585, 7237586, 7237587, 7237588, 7237589, 7237590, 7237591, 7237592, 7237593, 7237594 via cif-deposit CGI script.	7237585.cif