Crystallography Open Database

Information card for entry 4089093

Preview

Coordinates	4089093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H106 Ag4 F12 O2 P10
Calculated formula	C130 H106 Ag4 F12 O2 P10
SMILES	[C]12(#Cc3ccccc3)[Ag]([C]3(#Cc4ccccc4)[Ag]1[P](c1ccccc1)(c1ccccc1)c1ccccc1[P]14[Ag]3([P](c3c4cccc3)(c3ccccc3)c3ccccc3)[P](c3c1cccc3)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1[P]13[Ag]2([P](c2ccccc2)(c2c1cccc2)c1ccccc1)[P](c1ccccc1)(c1c3cccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
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	13.96 ± 0.004 Å
b	14.277 ± 0.004 Å
c	16.035 ± 0.005 Å
α	79.07 ± 0.006°
β	77.794 ± 0.005°
γ	74.218 ± 0.006°
Cell volume	2976.1 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4089093.cif