Crystallography Open Database

Information card for entry 7128142

Preview

Coordinates	7128142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C238 H277 Au29 Cd2 Fe2 P4 S17
Calculated formula	C238 H277 Au29 Cd2 Fe2 P4 S17
Title of publication	Surface engineering of linearly fused Au<sub>13</sub> units using diphosphine and Cd doping.
Authors of publication	Li, Tianrong; Li, Qinzhen; Yang, Sha; Xu, Liyun; Chai, Jinsong; Li, Peng; Zhu, Manzhou
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	38
Pages of publication	4682 - 4685
a	27.2386 ± 0.0012 Å
b	44.912 ± 0.0015 Å
c	25.7433 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	31493 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0746
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265902 (current)	2021-06-05	cif/ Updating files of 7128141, 7128142 Original log message: Adding full bibliography for 7128141--7128142.cif.	7128142.cif
263925	2021-04-07	cif/ Adding structures of 7128141, 7128142 via cif-deposit CGI script.	7128142.cif