Crystallography Open Database

Information card for entry 7206356

7206355 << 7206356 >> 7206357

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Coordinates	7206356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H57 Br8 O12 Si8
Calculated formula	C64 H52 Br8 O12 Si8
Title of publication	[PhSiO1.5]8 promotes self-bromination to produce [o-BrPhSiO1.5]8: further bromination gives crystalline [2,5-Br2PhSiO1.5]8 with a density of 2.32 g cm−3 and a calculated refractive index of 1.7 or the tetraicosa bromo compound [Br3PhSiO1.5]8
Authors of publication	Roll, Mark F.; Mathur, Priyanka; Takahashi, Kunio; Kampf, Jeffrey W.; Laine, R. M.
Journal of publication	Journal of Materials Chemistry
Year of publication	2011
Journal volume	21
Journal issue	30
Pages of publication	11167
a	20.5738 ± 0.001 Å
b	20.5738 ± 0.001 Å
c	36.261 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	15349 ± 2 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
180394 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/63.	7206356.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206356.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206356.cif
23718	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206354, 7206355, 7206356 via cif-deposit CGI script.	7206356.cif