Crystallography Open Database

Information card for entry 4519404

4519403 << 4519404 >> 4519405

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Coordinates	4519404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H87 Au4 Cl8 P4 S8
Calculated formula	C108 H87 Au4 Cl8 P4 S8
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	16.0501 ± 0.0002 Å
b	17.0934 ± 0.0002 Å
c	20.701 ± 0.0003 Å
α	91.582 ± 0.001°
β	108.552 ± 0.001°
γ	96.765 ± 0.001°
Cell volume	5333.93 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.1961
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274261 (current)	2022-04-03	cif/ Adding structures of 4519404 via cif-deposit CGI script.	4519404.cif