Crystallography Open Database

Information card for entry 4132573

Preview

Coordinates	4132573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 B F2 I2 N2
Calculated formula	C19 H17 B F2 I2 N2
SMILES	Ic1c(n2c(c1C)C(=c1[n](c(c(I)c1C)C)[B]2(F)F)c1ccccc1)C
Title of publication	Highly Emissive Self-Assembled BODIPY-Platinum Supramolecular Triangles.
Authors of publication	Zhou, Jiong; Zhang, Yuzhen; Yu, Guocan; Crawley, Matthew R.; Fulong, Cressa Ria P.; Friedman, Alan E.; Sengupta, Sanghamitra; Sun, Jifu; Li, Qing; Huang, Feihe; Cook, Timothy R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	24
Pages of publication	7730 - 7736
a	11.4365 ± 0.0004 Å
b	12.9084 ± 0.0005 Å
c	13.2216 ± 0.0005 Å
α	90°
β	90.809 ± 0.0012°
γ	90°
Cell volume	1951.67 ± 0.13 Å³
Cell temperature	100.02 K
Ambient diffraction temperature	100.02 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0558
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
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
242527 (current)	2019-11-26	cif/ Adding structures of 4132573 via cif-deposit CGI script.	4132573.cif