Crystallography Open Database

Information card for entry 4132572

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Coordinates	4132572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H25 B F2 N4
Calculated formula	C33 H25 B F2 N4
SMILES	F[B]1(F)[n]2c(c(c(c2=C(c2n1c(c(c2C)C#Cc1ccncc1)C)c1ccccc1)C)C#Cc1ccncc1)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	6.8589 ± 0.0004 Å
b	18.4294 ± 0.0011 Å
c	20.7665 ± 0.0012 Å
α	90°
β	94.9492 ± 0.0019°
γ	90°
Cell volume	2615.2 ± 0.3 Å³
Cell temperature	114.44 K
Ambient diffraction temperature	114.44 K
Number of distinct elements	5
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	0.08
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
242526 (current)	2019-11-26	cif/ Adding structures of 4132572 via cif-deposit CGI script.	4132572.cif