Crystallography Open Database

Information card for entry 1560140

Preview

Coordinates	1560140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C116 H190.67 K4 N4 O12
Calculated formula	C115.999 H190.665 K4 N4 O12
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	32.4579 ± 0.0006 Å
b	32.4579 ± 0.0006 Å
c	32.4579 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	34194.9 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.1655
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1560140.cif
261153	2021-01-23	cif/ Adding structures of 1560139, 1560140, 1560141, 1560142, 1560143, 1560144, 1560145, 1560146 via cif-deposit CGI script.	1560140.cif