Crystallography Open Database

Information card for entry 4122596

Preview

Coordinates	4122596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111 H116 Au7 B3 F12 O3 P8
Calculated formula	C111 H116 Au7 B3 F12 O3 P8
Title of publication	[Au7](3+): a missing link in the four-electron gold cluster family.
Authors of publication	Shichibu, Yukatsu; Zhang, Mingzhe; Kamei, Yutaro; Konishi, Katsuaki
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	37
Pages of publication	12892 - 12895
a	13.9089 ± 0.0017 Å
b	14.6451 ± 0.0018 Å
c	29.827 ± 0.004 Å
α	82.953 ± 0.002°
β	78.017 ± 0.002°
γ	66.121 ± 0.001°
Cell volume	5429.5 ± 1.2 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.1311
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.2062
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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
179027 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/25.	4122596.cif
127063	2014-11-12	cif/ Updating files of 4122596 Original log message: Adding full bibliography for 4122596.cif.	4122596.cif
123636	2014-09-09	cif/ Adding structures of 4122596 via cif-deposit CGI script.	4122596.cif