Crystallography Open Database

Information card for entry 7704720

Preview

Coordinates	7704720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H270 Au53.95 Cl12 P18
Calculated formula	C108 H270 Au53.9496 Cl12 P18
Title of publication	Au<sub>54</sub>(Et<sub>3</sub>P)<sub>18</sub>Cl<sub>12</sub>: a structurally related cluster to Au<sub>32</sub>(Et<sub>3</sub>P)<sub>12</sub>Cl<sub>8</sub> gives insight into the formation process.
Authors of publication	Kenzler, Sebastian; Schrenk, Claudio; Schnepf, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	31
Pages of publication	10765 - 10771
a	18.4195 ± 0.0013 Å
b	20.9254 ± 0.0015 Å
c	27.3606 ± 0.0019 Å
α	90°
β	93.863 ± 0.001°
γ	90°
Cell volume	10521.8 ± 1.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
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	0.0454
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
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
256093 (current)	2020-09-06	cif/ Updating files of 7704720 Original log message: Adding full bibliography for 7704720.cif.	7704720.cif
253544	2020-06-30	cif/ Adding structures of 7704720 via cif-deposit CGI script.	7704720.cif