Crystallography Open Database

Information card for entry 4345356

Preview

Coordinates	4345356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C220 H196 Au21.23 Cl2 Cu3.77 F12 P10 S5 Sb2
Calculated formula	C220 H196 Au21.228 Cl2 Cu3.772 F12 P10 S5 Sb2
Title of publication	Crystal Structures of Two New Gold-Copper Bimetallic Nanoclusters: CuxAu25-x(PPh3)10(PhC2H4S)5Cl2(2+) and Cu3Au34(PPh3)13((t)BuPhCH2S)6S2(3).
Authors of publication	Yang, Sha; Chai, Jinsong; Chen, Tao; Rao, Bo; Pan, Yiting; Yu, Haizhu; Zhu, Manzhou
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	1771 - 1774
a	31.159 ± 0.006 Å
b	22.308 ± 0.004 Å
c	34.068 ± 0.007 Å
α	90°
β	106.17 ± 0.002°
γ	90°
Cell volume	22744 ± 8 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1966
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.1824
Weighted residual factors for all reflections included in the refinement	0.214
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
192924 (current)	2017-03-04	cif/ Adding structures of 4345356 via cif-deposit CGI script.	4345356.cif