Crystallography Open Database

Information card for entry 7709022

Preview

Coordinates	7709022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 B Cl2 F10 N3
Calculated formula	C47 H42 B F10 N3
SMILES	Fc1c(c(F)c(F)c(F)c1F)[B]1(C(=[N+](C\1=N\c1c(C)cccc1C)c1c(C)cccc1C)/C=C(N(C(C)C)C(C)C)\C/C=C/c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
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	12.158 ± 0.003 Å
b	24.328 ± 0.005 Å
c	15.731 ± 0.004 Å
α	90°
β	99.003 ± 0.006°
γ	90°
Cell volume	4595.6 ± 1.9 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 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	0.0564
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
271072 (current)	2021-12-04	cif/ Adding structures of 7709017, 7709018, 7709019, 7709020, 7709021, 7709022 via cif-deposit CGI script.	7709022.cif