Crystallography Open Database

Information card for entry 7037516

Preview

Coordinates	7037516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H92 N10 O17 Zn2
Calculated formula	C49 H64 N8 O8 Zn2
Title of publication	A novel zinc(ii) metal-organic framework with a diamond-like structure: synthesis, study of thermal robustness and gas adsorption properties.
Authors of publication	Almáši, Miroslav; Zeleňák, Vladimír; Zukal, Arnošt; Kuchár, Juraj; Čejka, Jiří
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	3
Pages of publication	1233 - 1242
a	17.1627 ± 0.001 Å
b	17.1627 ± 0.001 Å
c	12.407 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3654.6 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	85
Hermann-Mauguin space group symbol	P 4/n
Hall space group symbol	-P 4a
Residual factor for all reflections	0.131
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.2013
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
176055 (current)	2016-02-05	cif/ Updating files of 7037516 Original log message: Adding full bibliography for 7037516.cif.	7037516.cif
170671	2015-12-03	cif/ Adding structures of 7037516 via cif-deposit CGI script.	7037516.cif