Crystallography Open Database

Information card for entry 4089096

Preview

Coordinates	4089096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H53 Au Cu F6 O P5
Calculated formula	C69 H53 Au Cu F6 O P5
SMILES	[C]1(#CC(c2ccccc2)(c2ccccc2)O)[Cu]234[P](c5c(cccc5)[P](c5ccccc5)(c5ccccc5)[Au]14)(c1ccccc1[P]2(c1ccccc1)c1ccccc1)c1ccccc1[P]3(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Low-Nuclearity Alkynyl d10Clusters Supported by Chelating Multidentate Phosphines
Authors of publication	Belyaev, Andrey; Dau, Thuy Minh; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	21
Pages of publication	3763
a	21.974 ± 0.009 Å
b	20.503 ± 0.01 Å
c	26.6 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	11984 ± 9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237980 (current)	2019-11-24	cif/ Adding structures of 4089088, 4089089, 4089090, 4089091, 4089092, 4089093, 4089094, 4089095, 4089096, 4089097, 4089098, 4089099, 4089100, 4089101 via cif-deposit CGI script.	4089096.cif