Crystallography Open Database

Information card for entry 7043940

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Coordinates	7043940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H40 Ag Br P2
Calculated formula	C38 H40 Ag Br P2
SMILES	[Ag]1(Br)[P](c2c(cccc2)CC)(c2c(cccc2)CC)c2ccccc2[P]1(c1c(cccc1)CC)c1c(cccc1)CC
Title of publication	Photoluminescence properties of TADF-emitting three-coordinate silver(I) halide complexes with diphosphine ligands: a comparison study with copper(I) complexes
Authors of publication	Osawa, Masahisa; Hashimoto, Masashi; Kawata, Isao; Hoshino, Mikio
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.48 ± 0.001 Å
b	11.6374 ± 0.0009 Å
c	15.214 ± 0.0016 Å
α	80.148 ± 0.006°
β	87.232 ± 0.006°
γ	64.089 ± 0.004°
Cell volume	1643.6 ± 0.3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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