Crystallography Open Database

Information card for entry 4518785

Preview

Coordinates	4518785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 N6 O7 Zn
Calculated formula	C34 H24 N6 O7 Zn
Title of publication	Combining <i>In Situ</i> Techniques (XRD, IR, and <sup>13</sup>C NMR) and Gas Adsorption Measurements Reveals CO<sub>2</sub>-Induced Structural Transitions and High CO<sub>2</sub>/CH<sub>4</sub> Selectivity for a Flexible Metal-Organic Framework JUK-8.
Authors of publication	Roztocki, Kornel; Rauche, Marcus; Bon, Volodymyr; Kaskel, Stefan; Brunner, Eike; Matoga, Dariusz
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	24
Pages of publication	28503 - 28513
a	16.9782 ± 0.0013 Å
b	18.508 ± 0.0014 Å
c	26.157 ± 0.002 Å
α	90°
β	101.653 ± 0.008°
γ	90°
Cell volume	8050 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1551
Residual factor for significantly intense reflections	0.1193
Weighted residual factors for significantly intense reflections	0.3288
Weighted residual factors for all reflections included in the refinement	0.351
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
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
266950 (current)	2021-07-04	cif/ Updating files of 4518783, 4518784, 4518785 Original log message: Adding full bibliography for 4518783--4518785.cif.	4518785.cif
266305	2021-06-10	cif/ Adding structures of 4518785 via cif-deposit CGI script.	4518785.cif