Crystallography Open Database

Information card for entry 1551459

Preview

Coordinates	1551459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 Br8 Cl2 F K O10 Si
Calculated formula	C25 H25 Br8 Cl2 F K O10 Si
SMILES	Brc1c2O[Si]3([F][K]45678([O]9CC[O]4CC[O]5CC[O]6CC[O]7CC[O]8CC9)[Cl]CCl)(Oc2c(Br)c(Br)c1Br)Oc1c(O3)c(Br)c(Br)c(Br)c1Br
Title of publication	Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity
Authors of publication	Hartmann, Deborah; Schädler, Marcel; Greb, Lutz
Journal of publication	Chemical Science
Year of publication	2019
a	11.428 ± 0.002 Å
b	12.75 ± 0.003 Å
c	15.069 ± 0.003 Å
α	71.12 ± 0.03°
β	71.13 ± 0.03°
γ	69.23 ± 0.03°
Cell volume	1887.7 ± 0.8 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216033 (current)	2019-06-18	cif/ Adding structures of 1551458, 1551459, 1551460, 1551461, 1551462, 1551463, 1551464, 1551465, 1551466, 1551467, 1551468, 1551469 via cif-deposit CGI script.	1551459.cif