Crystallography Open Database

Information card for entry 7705501

Preview

Coordinates	7705501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 Au N S4 Se2
Calculated formula	C24 H44 Au N S4 Se2
Title of publication	Conducting neutral gold bisdithiolene complex [Au(dspdt)<sub>2</sub>]˙.
Authors of publication	Velho, Mariana F. G.; Silva, Rafaela A. L.; Brotas, Graça; Lopes, Elsa B.; Santos, Isabel C.; Charas, Ana; Belo, Dulce; Almeida, Manuel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	39
Pages of publication	13737 - 13743
a	9.4015 ± 0.0003 Å
b	17.8349 ± 0.0005 Å
c	17.9831 ± 0.0005 Å
α	90°
β	98.102 ± 0.002°
γ	90°
Cell volume	2985.22 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
258821 (current)	2020-11-06	cif/ Updating files of 7705500, 7705501, 7705502 Original log message: Adding full bibliography for 7705500--7705502.cif.	7705501.cif
256698	2020-09-24	cif/ Adding structures of 7705500, 7705501, 7705502 via cif-deposit CGI script.	7705501.cif