Crystallography Open Database

Information card for entry 7126368

Preview

Coordinates	7126368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H60 Au6 F12 N8 O2 P2 S4
Calculated formula	C50 H60 Au6 F12 N8 O2 P2 S4
Title of publication	Synthesis and properties of an Au<sub>6</sub> cluster supported by a mixed N-heterocyclic carbene-thiolate ligand.
Authors of publication	Salorinne, Kirsi; Man, Renee W. Y.; Lummis, Paul A.; Hazer, Maryam Sabooni Asre; Malola, Sami; Yim, Jacky C.-H.; Veinot, Alex J.; Zhou, Wenxia; Häkkinen, Hannu; Nambo, Masakazu; Crudden, Cathleen M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	45
Pages of publication	6102 - 6105
a	12.36 ± 0.004 Å
b	29.522 ± 0.009 Å
c	35.0152 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	12777 ± 6 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0227
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.0413
Weighted residual factors for all reflections included in the refinement	0.042
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253825 (current)	2020-07-06	cif/ Updating files of 7126368, 7126369 Original log message: Adding full bibliography for 7126368--7126369.cif.	7126368.cif
250743	2020-04-14	cif/ Adding structures of 7126368, 7126369 via cif-deposit CGI script.	7126368.cif