Crystallography Open Database

Information card for entry 7047765

Preview

Coordinates	7047765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88.98 H26.96 Al2 Cl5.96 Cu2 F92 N7 O6
Calculated formula	C88.9802 H26.9604 Al2 Cl5.9604 Cu2 F92 N7 O6
Title of publication	Highly soluble Cu(i)-acetonitrile salts as building blocks for novel phosphorus-rich organometallic-inorganic compounds.
Authors of publication	Elsayed Moussa, Mehdi; Piesch, Martin; Fleischmann, Martin; Schreiner, Andrea; Seidl, Michael; Scheer, Manfred
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	45
Pages of publication	16031 - 16035
a	14.36351 ± 0.00009 Å
b	14.36351 ± 0.00009 Å
c	15.72381 ± 0.00012 Å
α	90°
β	90°
γ	120°
Cell volume	2809.37 ± 0.03 Å³
Cell temperature	123.1 ± 0.3 K
Ambient diffraction temperature	123.1 ± 0.3 K
Number of distinct elements	8
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229961 (current)	2019-11-17	cif/ Updating files of 7047765, 7047766, 7047767, 7047768, 7047769, 7047770 Original log message: Adding full bibliography for 7047765--7047770.cif.	7047765.cif
211439	2018-10-13	cif/ Adding structures of 7047765, 7047766, 7047767, 7047768, 7047769, 7047770 via cif-deposit CGI script.	7047765.cif