Crystallography Open Database

Information card for entry 4122717

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Coordinates	4122717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H N O1.17 Zn0.67
Calculated formula	C2 H N O1.16667 Zn0.666667
Title of publication	Ordered Vacancies and Their Chemistry in Metal-Organic Frameworks.
Authors of publication	Tu, Binbin; Pang, Qingqing; Wu, Doufeng; Song, Yuna; Weng, Linhong; Li, Qiaowei
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	41
Pages of publication	14465
a	20.1448 ± 0.0001 Å
b	20.1448 ± 0.0001 Å
c	20.1448 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	8175.02 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	196
Hermann-Mauguin space group symbol	F 2 3
Hall space group symbol	F 2 2 3
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1855
Weighted residual factors for all reflections included in the refinement	0.1873
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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