Crystallography Open Database

Information card for entry 8105491

Preview

Coordinates	8105491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 Au2 F2 N2 O2 P2 S2
Calculated formula	C46 H46 Au2 F2 N2 O2 P2 S2
Title of publication	Crystal structure of (μ2-1,1′-bis(diphenylphosphino)hexane-κ2 P,P′)-bis[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-κS]digold(I), C46H46Au2F2N2O2P2S2
Authors of publication	Yeo, Chien Ing; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1449 - 1451
a	8.2496 ± 0.0003 Å
b	11.4366 ± 0.0004 Å
c	12.9504 ± 0.0004 Å
α	109.171 ± 0.003°
β	92.496 ± 0.003°
γ	100.208 ± 0.003°
Cell volume	1128.98 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
276222 (current)	2022-06-24	cif/ Adding structures of 8105491 via cif-deposit CGI script.	8105491.cif