Crystallography Open Database

Information card for entry 1567186

Preview

Coordinates	1567186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H78 Al2 O4 Si8
Calculated formula	C30 H78 Al2 O4 Si8
SMILES	C([Al]1(C([Si](C)(C)C)[Si](C)(C)C)[O]=CO[Al](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)[O]=CO1)([Si](C)(C)C)[Si](C)(C)C
Title of publication	Carbon dioxide reduction by an Al-O-P frustrated Lewis pair.
Authors of publication	Wickemeyer, Lucas; Aders, Niklas; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Cabrera-Trujillo, Jorge J; Fernández, Israel; Mitzel, Norbert W.
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	27
Pages of publication	8088 - 8094
a	14.912 ± 0.0003 Å
b	9.33098 ± 0.00017 Å
c	17.8266 ± 0.0005 Å
α	90°
β	104.662 ± 0.003°
γ	90°
Cell volume	2399.68 ± 0.1 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.0346
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277098 (current)	2022-08-06	cif/ Updating files of 1567184, 1567185, 1567186, 1567187 Original log message: Adding full bibliography for 1567184--1567187.cif.	1567186.cif
276295	2022-06-28	cif/ Adding structures of 1567184, 1567185, 1567186, 1567187 via cif-deposit CGI script.	1567186.cif