Crystallography Open Database

Information card for entry 4135396

Preview

Coordinates	4135396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H192 Al2 B2 Cl8 F72 O10 Si6
Calculated formula	C148 H192 Al2 B2 Cl8 F72 O10 Si6
Title of publication	A Neutral Silicon(II) Half-Sandwich Compound.
Authors of publication	Heitkemper, Tobias; Sarcevic, Julijan; Sindlinger, Christian P.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	51
Pages of publication	21304 - 21309
a	46.461 ± 0.002 Å
b	19.6539 ± 0.0009 Å
c	20.108 ± 0.0009 Å
α	90°
β	91.637 ± 0.002°
γ	90°
Cell volume	18353.9 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.1111
Residual factor for significantly intense reflections	0.0906
Weighted residual factors for significantly intense reflections	0.2419
Weighted residual factors for all reflections included in the refinement	0.2611
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
260422 (current)	2021-01-04	cif/ Updating files of 4135395, 4135396, 4135397 Original log message: Adding full bibliography for 4135395--4135397.cif.	4135396.cif
259896	2020-12-16	cif/ Adding structures of 4135396 via cif-deposit CGI script.	4135396.cif