Crystallography Open Database

Information card for entry 7047769

Preview

Coordinates	7047769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H23 Al Cl2 Cu F36 Fe N2 O4 P5
Calculated formula	C31 H23 Al Cl2 Cu F36 Fe N2 O4 P5
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	10.9037 ± 0.0003 Å
b	27.5664 ± 0.0006 Å
c	17.8993 ± 0.0003 Å
α	90°
β	98.166 ± 0.002°
γ	90°
Cell volume	5325.5 ± 0.2 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	10
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
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
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.	7047769.cif
211439	2018-10-13	cif/ Adding structures of 7047765, 7047766, 7047767, 7047768, 7047769, 7047770 via cif-deposit CGI script.	7047769.cif