Crystallography Open Database

Information card for entry 7719003

7719002 << 7719003 >> 7719004

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Coordinates	7719003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H108 Au2 F12 N4 P10 S4
Calculated formula	C124 H108 Au2 F12 N4 P10 S4
Title of publication	Metal ion independent conductance through bis-chelated metal complex molecular wires based on a bis(diphenylphosphino)aniline derivative
Authors of publication	Gatto, Marco F.; Sangtarash, Sara; Jago, David; Abram, R. Tom; Barrett, Eleanor; Sil, Amit; Koutsantonis, George A.; Higgins, Simon J.; Robertson, Craig M.; Nichols, Richard J.; Sadeghi, Hatef; Vezzoli, Andrea
Journal of publication	Dalton Transactions
Year of publication	2025
Journal volume	54
Journal issue	19
Pages of publication	7874 - 7881
a	12.2295 ± 0.0003 Å
b	21.7084 ± 0.0006 Å
c	24.2101 ± 0.0005 Å
α	74.296 ± 0.002°
β	89.995 ± 0.002°
γ	74.781 ± 0.002°
Cell volume	5953 ± 0.3 Å³
Cell temperature	109 ± 14 K
Ambient diffraction temperature	109 ± 14 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1033
Residual factor for significantly intense reflections	0.0971
Weighted residual factors for significantly intense reflections	0.2869
Weighted residual factors for all reflections included in the refinement	0.2983
Goodness-of-fit parameter for all reflections included in the refinement	1.355
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

Version history

Revision	Date	Message	Files
300359 (current)	2025-07-05	cif/ Adding structures of 7719003, 7719004, 7719005 via cif-deposit CGI script.	7719003.cif