Crystallography Open Database

Information card for entry 7703472

Preview

Coordinates	7703472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H120 Li4 Si4
Calculated formula	C76 H120 Li4 Si4
Title of publication	2,5-Bis-trimethylsilyl substituted boroles.
Authors of publication	Heitkemper, Tobias; Naß, Leonard; Sindlinger, Christian P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	8
Pages of publication	2706 - 2714
a	12.1327 ± 0.0009 Å
b	17.933 ± 0.0013 Å
c	19.8813 ± 0.0014 Å
α	78.173 ± 0.002°
β	73.231 ± 0.002°
γ	73.259 ± 0.002°
Cell volume	3931 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
248917 (current)	2020-03-05	cif/ Updating files of 7703465, 7703466, 7703467, 7703468, 7703469, 7703470, 7703471, 7703472, 7703473, 7703474 Original log message: Adding full bibliography for 7703465--7703474.cif.	7703472.cif
247937	2020-02-07	cif/ Adding structures of 7703465, 7703466, 7703467, 7703468, 7703469, 7703470, 7703471, 7703472, 7703473, 7703474 via cif-deposit CGI script.	7703472.cif