Crystallography Open Database

Information card for entry 1560145

Preview

Coordinates	1560145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H121 Li6 N3 O8
Calculated formula	C77 H121 Li6 N3 O8
Title of publication	Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes
Authors of publication	Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	10
Pages of publication	3544 - 3550
a	14.2409 ± 0.0017 Å
b	14.1749 ± 0.0017 Å
c	20.804 ± 0.002 Å
α	90°
β	104.449 ± 0.004°
γ	90°
Cell volume	4066.7 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1305
Residual factor for significantly intense reflections	0.0713
Weighted residual factors for significantly intense reflections	0.1594
Weighted residual factors for all reflections included in the refinement	0.1863
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
263666 (current)	2021-04-05	cif/ Updating files of 1560139, 1560140, 1560141, 1560142, 1560143, 1560144, 1560145, 1560146 Original log message: Adding full bibliography for 1560139--1560146.cif.	1560145.cif
261153	2021-01-23	cif/ Adding structures of 1560139, 1560140, 1560141, 1560142, 1560143, 1560144, 1560145, 1560146 via cif-deposit CGI script.	1560145.cif