Crystallography Open Database

Information card for entry 4125588

Preview

Coordinates	4125588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H99 Au F6 N O4 P3 Pt S2
Calculated formula	C60 H99 Au F6 N O4 P3 Pt S2
Title of publication	Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair.
Authors of publication	Campos, Jesús
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	8
Pages of publication	2944 - 2947
a	26.743 ± 0.0006 Å
b	12.8498 ± 0.0003 Å
c	20.3054 ± 0.0005 Å
α	90°
β	107.367 ± 0.001°
γ	90°
Cell volume	6659.7 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
193487 (current)	2017-03-04	cif/ Updating files of 4125586, 4125587, 4125588 Original log message: Adding full bibliography for 4125586--4125588.cif.	4125588.cif
192634	2017-03-01	cif/ Adding structures of 4125588 via cif-deposit CGI script.	4125588.cif