Crystallography Open Database

Information card for entry 1551460

Preview

Coordinates	1551460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 Br8 Cl2 O5 P Si
Calculated formula	C19 H17 Br8 Cl2 O5 P Si
SMILES	Brc1c2O[Si]3(Oc2c(Br)c(Br)c1Br)(Oc1c(O3)c(Br)c(Br)c(Br)c1Br)[O]=P(CC)(CC)CC.ClCCl
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	11.061 ± 0.002 Å
b	12.978 ± 0.003 Å
c	22.591 ± 0.005 Å
α	86.42 ± 0.03°
β	79.44 ± 0.03°
γ	67.26 ± 0.03°
Cell volume	2940.1 ± 1.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1004
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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.	1551460.cif