Crystallography Open Database

Information card for entry 4125586

Preview

Coordinates	4125586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H111 Au B F24 P3 Pt
Calculated formula	C90.0005 H111 Au B F24.001 P3 Pt
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	12.8836 ± 0.0004 Å
b	17.8107 ± 0.0005 Å
c	21.6813 ± 0.0007 Å
α	95.049 ± 0.001°
β	106.674 ± 0.001°
γ	95.903 ± 0.001°
Cell volume	4704.5 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 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	0.094
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4125586.cif
192632	2017-03-01	cif/ Adding structures of 4125586 via cif-deposit CGI script.	4125586.cif