Crystallography Open Database

Information card for entry 7715581

Preview

Coordinates	7715581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H58 B Ge P Si2
Calculated formula	C34 H58 B Ge P Si2
SMILES	[Ge]1([P](c2c(cccc2)[B]1(C1CCCCC1)C1CCCCC1)(C(C)C)C(C)C)(C#C[Si](C)(C)C)C#C[Si](C)(C)C
Title of publication	Frustrated Lewis pair adducts of alkynyl-capped tetrelenes.
Authors of publication	Muralidharan, Abhishek V.; Frenette, Brandon L.; Wicke, Julius; Omaña, Alvaro A; Ferguson, Michael J.; Rivard, Eric
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	16
Pages of publication	7206 - 7212
a	11.9583 ± 0.0015 Å
b	20.414 ± 0.003 Å
c	16.094 ± 0.002 Å
α	90°
β	107.665 ± 0.002°
γ	90°
Cell volume	3743.6 ± 0.9 Å³
Cell temperature	193.15 K
Ambient diffraction temperature	193.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
291638 (current)	2024-05-05	cif/ Updating files of 7715580, 7715581, 7715582 Original log message: Adding full bibliography for 7715580--7715582.cif.	7715581.cif
290722	2024-04-02	cif/ Adding structures of 7715580, 7715581, 7715582 via cif-deposit CGI script.	7715581.cif