Crystallography Open Database

Information card for entry 1572699

Preview

Coordinates	1572699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 F6 N4 Si Zn
Calculated formula	C14 H18 F6 N4 Si Zn
Title of publication	Crystal engineering of a new platform of hybrid ultramicroporous materials and their C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation properties.
Authors of publication	O'Hearn, Daniel J; Sensharma, Debobroto; Raza, Asif; Bezrukov, Andrey A.; Vandichel, Matthias; Mukherjee, Soumya; Zaworotko, Michael J.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	43
Pages of publication	17937 - 17943
a	12.704 ± 0.004 Å
b	13.535 ± 0.004 Å
c	14.921 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2565.6 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.1088
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1692
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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
296372 (current)	2024-12-06	cif/ Updating files of 1572699 Original log message: Adding full bibliography for 1572699.cif.	1572699.cif
294922	2024-09-28	cif/ Adding structures of 1572699 via cif-deposit CGI script.	1572699.cif