Crystallography Open Database

Information card for entry 7241165

Preview

Coordinates	7241165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H34 Ba3 O17
Calculated formula	C58 H34 Ba3 O17
Title of publication	A series of four novel alkaline earth metal‒organic frameworks constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker: structural diversity, stability study and low/high-pressure gas adsorption properties
Authors of publication	Almáši, Miroslav; Zeleňák, Vladimír; Gyepes, Róbert; Zauška, Ľuboš; Bourrelly, Sandrine
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	54
Pages of publication	32323 - 32334
a	30.7615 ± 0.0016 Å
b	11.9378 ± 0.0006 Å
c	25.851 ± 0.002 Å
α	90°
β	122.448 ± 0.001°
γ	90°
Cell volume	8011 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0646
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258130 (current)	2020-10-06	cif/ Updating files of 7241163, 7241164, 7241165, 7241166 Original log message: Adding full bibliography for 7241163--7241166.cif.	7241165.cif
255796	2020-09-02	cif/ Adding structures of 7241163, 7241164, 7241165, 7241166 via cif-deposit CGI script.	7241165.cif