Crystallography Open Database

Information card for entry 4089094

Preview

Coordinates	4089094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C125 H96 Au2 Cl2 Cu2 F12 P10
Calculated formula	C125 H96 Au2 Cl2 Cu2 F12 P10
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	10.788 ± 0.012 Å
b	17.03 ± 0.02 Å
c	17.42 ± 0.02 Å
α	98.904 ± 0.018°
β	98.603 ± 0.012°
γ	91.2 ± 0.04°
Cell volume	3123 ± 6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0716
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4089094.cif