Crystallography Open Database

Information card for entry 7034458

Preview

Coordinates	7034458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12.55 H31.38 Al F12 Li3 O15.14 P6
Calculated formula	C12.552 H31.38 Al F12 Li3 O15.138 P6
Title of publication	Homoleptic borates and aluminates containing the difluorophosphato ligand - [M(O2PF2)x](y-) - synthesis and characterization.
Authors of publication	Schulz, Christoph; Eiden, Philipp; Klose, Petra; Ermantraut, Andreas; Schmidt, Michael; Garsuch, Arnd; Krossing, Ingo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	15
Pages of publication	7048 - 7057
a	17.4058 ± 0.0004 Å
b	17.4058 ± 0.0004 Å
c	21.4947 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	5639.6 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
180050 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/44.	7034458.cif
134966	2015-04-06	cif/ Updating files of 7034458, 7034459 Original log message: Adding full bibliography for 7034458--7034459.cif.	7034458.cif
134105	2015-03-19	cif/ Adding structures of 7034458, 7034459 via cif-deposit CGI script.	7034458.cif