Crystallography Open Database

Information card for entry 4519407

4519406 << 4519407 >> 4519408

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Coordinates	4519407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H20 S4
Calculated formula	C34 H20 S4
SMILES	S1c2c(Sc3c1cccc3)cccc2c1c2c(c3c4Sc5ccccc5Sc4ccc3)cccc2ccc1
Title of publication	Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.
Authors of publication	Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro
Journal of publication	ACS omega
Year of publication	2022
Journal volume	7
Journal issue	11
Pages of publication	9594 - 9601
a	21.019 ± 0.0018 Å
b	7.8788 ± 0.0007 Å
c	46.469 ± 0.004 Å
α	90°
β	97.275 ± 0.001°
γ	90°
Cell volume	7633.5 ± 1.1 Å³
Cell temperature	73 K
Ambient diffraction temperature	73 K
Number of distinct elements	3
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	0.0811
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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