Crystallography Open Database

Information card for entry 7051639

Preview

Coordinates	7051639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H144 B8 F32 N36 Zn4
Calculated formula	C192 H144 B4 F16 N36 Zn6
Title of publication	Further investigations into tetrahedral M4L6 cage complexes containing guest anions: new structures and NMR spectroscopic studies
Authors of publication	Tidmarsh, Ian S.; Taylor, Brian F.; Hardie, Michaele J.; Russo, Luca; Clegg, William; Ward, Michael D.
Journal of publication	New Journal of Chemistry
Year of publication	2009
Journal volume	33
Journal issue	2
Pages of publication	366
a	19.8865 ± 0.0006 Å
b	19.8865 ± 0.0006 Å
c	48.236 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	16520.3 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.2118
Residual factor for significantly intense reflections	0.1872
Weighted residual factors for significantly intense reflections	0.4858
Weighted residual factors for all reflections included in the refinement	0.5105
Goodness-of-fit parameter for all reflections included in the refinement	2.161
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7051639.html