Crystallography Open Database

Information card for entry 7131670

Preview

Coordinates	7131670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H39 B F20 Si
Calculated formula	C66 H39 B F20 Si
SMILES	[Si+](c1c2C3(c4c(c5c3cccc5)cccc4)CC(c2cc2c1C1(c3c(c4ccccc14)cccc3)CC2(C)C)(C)C)(C)C.Fc1c(F)c(F)c(F)c(F)c1[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Aryldimethylelement cations of the heavier group 14 elements. An essentially three-coordinate plumbylium ion.
Authors of publication	Janssen, Marvin; Mebs, Stefan; Beckmann, Jens
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	47
Pages of publication	7267 - 7270
a	10.5128 ± 0.0011 Å
b	17.7699 ± 0.0016 Å
c	29.707 ± 0.003 Å
α	90°
β	94.346 ± 0.003°
γ	90°
Cell volume	5533.6 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0837
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
284858 (current)	2023-07-05	cif/ Updating files of 7131666, 7131667, 7131668, 7131669, 7131670, 7131671 Original log message: Adding full bibliography for 7131666--7131671.cif.	7131670.cif
283874	2023-05-19	cif/ Adding structures of 7131666, 7131667, 7131668, 7131669, 7131670, 7131671 via cif-deposit CGI script.	7131670.cif