Crystallography Open Database

Information card for entry 7709020

Preview

Coordinates	7709020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H24 B F10 N
Calculated formula	C29 H24 B F10 N
SMILES	N(/C(=C/B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C/C=C/c1ccccc1)(C(C)C)C(C)C
Title of publication	Pyridylarsine-based Cu(I) complexes showing TADF mixed with fast phosphorescence: speeding-up emission rate using arsine ligands
Authors of publication	Artem'ev, Alexander; Demyanov, Yan V.; Rakhmanova, Marianna I.; Bagryanskaya, Irina Yu.
Journal of publication	Dalton Transactions
Year of publication	2021
a	28.371 ± 0.003 Å
b	8.6644 ± 0.0009 Å
c	22.055 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5421.5 ± 0.9 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1574
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1306
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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

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