Crystallography Open Database

Information card for entry 7711985

7711984 << 7711985 >> 7711986

Preview

Coordinates	7711985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 B Br2 P Si
Calculated formula	C24 H40 B Br2 P Si
SMILES	Br[Si]1(Br)[P+](C(C)C)(C(C)C)c2c(cccc2)[B]1(C1CCCCC1)C1CCCCC1
Title of publication	Frustrated Lewis pair-ligated tetrelenes.
Authors of publication	Omaña, Alvaro A; Frenette, Brandon L.; Dornsiepen, Eike; Kobayashi, Ryo; Ferguson, Michael J.; Iwamoto, Takeaki; Rivard, Eric
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	774 - 786
a	9.9653 ± 0.0002 Å
b	15.4219 ± 0.0004 Å
c	17.1801 ± 0.0004 Å
α	90°
β	101.565 ± 0.0013°
γ	90°
Cell volume	2586.7 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0517
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283347 (current)	2023-05-05	cif/ Updating files of 7711983, 7711984, 7711985, 7711986, 7711987, 7711988, 7711989 Original log message: Adding full bibliography for 7711983--7711989.cif.	7711985.cif
279958	2022-12-21	cif/ Adding structures of 7711983, 7711984, 7711985, 7711986, 7711987, 7711988, 7711989 via cif-deposit CGI script.	7711985.cif