Crystallography Open Database

Information card for entry 4108716

Preview

Coordinates	4108716.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Trifluorobistryptycilsilicate
Formula	C56 H58 Cl4 F3 K O6 Si
Calculated formula	C56 H56 Cl4 F3 K O6 Si
Title of publication	Introduction of Clutch Function into a Molecular Gear System by Silane-Silicate Interconversion
Authors of publication	Wataru Setaka; Takayoshi Nirengi; Chizuko Kabuto; Mitsuo Kira
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	15762 - 15763
a	12.461 ± 0.003 Å
b	18.925 ± 0.005 Å
c	22.839 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	5386 ± 2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.1993
Weighted residual factors for all reflections included in the refinement	0.2175
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
178833 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/87.	4108716.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108716.cif
57084	2012-05-16	cif/ Adding structures of 4108716 via cif-deposit CGI script.	4108716.cif