Crystallography Open Database

Information card for entry 7037293

Preview

Coordinates	7037293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 Si3
Calculated formula	C27 H24 Si3
SMILES	[Si]1(C[Si](C[Si](C1)(c1ccccc1)C#C)(c1ccccc1)C#C)(c1ccccc1)C#C
Title of publication	Tridentate Lewis acids with phenyl substituted 1,3,5-trisilacyclohexane backbones.
Authors of publication	Weisheim, Eugen; Bücker, Lisa; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	1
Pages of publication	198 - 207
a	19.9247 ± 0.0005 Å
b	10.2169 ± 0.0003 Å
c	12.3529 ± 0.0004 Å
α	90°
β	107.103 ± 0.003°
γ	90°
Cell volume	2403.46 ± 0.13 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
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	0.0434
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176115 (current)	2016-02-05	cif/ Updating files of 7037290, 7037291, 7037292, 7037293 Original log message: Adding full bibliography for 7037290--7037293.cif.	7037293.cif
170383	2015-11-18	cif/ Adding structures of 7037290, 7037291, 7037292, 7037293 via cif-deposit CGI script.	7037293.cif