Crystallography Open Database

Information card for entry 7051642

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Coordinates	7051642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H132 F24 N36 Si4 Zn4
Calculated formula	C168 H132 F24 N36 Si4 Zn4
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	32.973 ± 0.01 Å
b	32.973 ± 0.01 Å
c	32.973 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	35849 ± 19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.2315
Residual factor for significantly intense reflections	0.1578
Weighted residual factors for significantly intense reflections	0.4413
Weighted residual factors for all reflections included in the refinement	0.4761
Goodness-of-fit parameter for all reflections included in the refinement	1.518
Diffraction radiation wavelength	0.6926 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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