Crystallography Open Database

Information card for entry 7037291

Preview

Coordinates	7037291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.5 H27 Cl3 Si3
Calculated formula	C21 H21 Cl3 Si3
SMILES	C1[Si](Cl)(C[Si](C[Si]1(c1ccccc1)Cl)(c1ccccc1)Cl)c1ccccc1
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	21.5592 ± 0.0002 Å
b	7.97338 ± 0.00008 Å
c	28.7174 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4936.51 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
206165 (current)	2018-02-04	cif/ Updating space group information in entries 2001632, 2002043, 2205693, 2210884, 2241207, 2241323, 2241362, 7036763, 7037291, 7037577, 7100674, 7118554, 7118555, 7118556, 7118557.	7037291.cif
176115	2016-02-05	cif/ Updating files of 7037290, 7037291, 7037292, 7037293 Original log message: Adding full bibliography for 7037290--7037293.cif.	7037291.cif
170383	2015-11-18	cif/ Adding structures of 7037290, 7037291, 7037292, 7037293 via cif-deposit CGI script.	7037291.cif