Crystallography Open Database

Information card for entry 7017697

Preview

Coordinates	7017697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H68 Cl8 F N O12 Si8
Calculated formula	C64 H68 Cl8 F N O12 Si8
Title of publication	Further studies of fluoride ion entrapment in octasilsesquioxane cages; X-ray crystal structure studies and factors that affect their formation.
Authors of publication	Taylor, Peter G.; Bassindale, Alan R.; El Aziz, Youssef; Pourny, Manuel; Stevenson, Richard; Hursthouse, Michael B.; Coles, Simon J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	7
Pages of publication	2048 - 2059
a	27.2513 ± 0.0011 Å
b	21.4772 ± 0.0009 Å
c	12.7007 ± 0.0005 Å
α	90°
β	103.431 ± 0.002°
γ	90°
Cell volume	7230.2 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2399
Residual factor for significantly intense reflections	0.1427
Weighted residual factors for significantly intense reflections	0.2307
Weighted residual factors for all reflections included in the refinement	0.2777
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
179880 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/76.	7017697.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017697.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017697.cif
33392	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7017697, 7017698, 7017699, 7017700 via cif-deposit CGI script.	7017697.cif