Crystallography Open Database

Information card for entry 4112353

Preview

Coordinates	4112353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H3 F N4 O0.86 Zn
Calculated formula	C2 H3 F N4 O0.854 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	18.5486 ± 0.0007 Å
b	18.5486 ± 0.0007 Å
c	9.8538 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	2936 ± 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	0.0252
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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