Crystallography Open Database

Information card for entry 7133281

Preview

Coordinates	7133281.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H94 Be Cl N2 Na O8 Si2
Calculated formula	C58 H94 Be Cl N2 Na O8 Si2
Title of publication	Alkali metal reduction of crown ether encapsulated alkali metal cations.
Authors of publication	Pearce, Kyle G.; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire L.; Hill, Michael S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	64
Pages of publication	8391 - 8394
a	12.1829 ± 0.0001 Å
b	17.5093 ± 0.0001 Å
c	29.91 ± 0.0002 Å
α	90°
β	96.725 ± 0.001°
γ	90°
Cell volume	6336.33 ± 0.08 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	8
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	0.0414
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
294419 (current)	2024-09-06	cif/ Updating files of 7133277, 7133278, 7133279, 7133280, 7133281, 7133282 Original log message: Adding full bibliography for 7133277--7133282.cif.	7133281.cif
292733	2024-07-05	cif/ Adding structures of 7133277, 7133278, 7133279, 7133280, 7133281, 7133282 via cif-deposit CGI script.	7133281.cif