Crystallography Open Database

Information card for entry 4135397

Preview

Coordinates	4135397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H101 B Li2 O2 Si2
Calculated formula	C60 H101 B Li2 O2 Si2
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	10.6412 ± 0.0019 Å
b	13.78 ± 0.003 Å
c	21.703 ± 0.004 Å
α	73.982 ± 0.003°
β	80.257 ± 0.003°
γ	88.739 ± 0.003°
Cell volume	3013.7 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1191
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.	4135397.cif
259897	2020-12-16	cif/ Adding structures of 4135397 via cif-deposit CGI script.	4135397.cif