Crystallography Open Database

Information card for entry 4112354

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Coordinates	4112354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H3 F N4 O0.16 Zn
Calculated formula	C2 H3 F N4 O0.155333 Zn
Title of publication	Exceptionally Stable, Hollow Tubular Metal-Organic Architectures: Synthesis, Characterization, and Solid-State Transformation Study
Authors of publication	Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; P. J. Pellechia; Hans-Conrad zur Loye
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	3576 - 3586
a	18.5744 ± 0.0007 Å
b	18.5744 ± 0.0007 Å
c	9.8413 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	2940.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0286
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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