Crystallography Open Database

Information card for entry 1569041

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Coordinates	1569041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 I2 N3 O5 Zn
Calculated formula	C23 H19 I2 N3 O5 Zn
Title of publication	Zn(II) Three-Dimensional Metal-Organic Frameworks Based on 2,5-Diiodoterephthalate and N,N Linkers: Structures and Features of Sorption Behavior
Authors of publication	Zaguzin, Alexander S.; Sukhikh, Taisiya; Sokolov, Maxim N.; Fedin, Vladimir P.; Adonin, Sergey A.
Journal of publication	Inorganics
Year of publication	2023
Journal volume	11
Journal issue	5
Pages of publication	192
a	28.6666 ± 0.0011 Å
b	31.2803 ± 0.0015 Å
c	22.6871 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	20343.5 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.0999
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	Yes
Has F_obs	No

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