Crystallography Open Database

Information card for entry 4122716

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Coordinates	4122716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H48 N48 O56 Zn32
Calculated formula	C96 H48 N48 O56 Zn32
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	20.1405 ± 0.0001 Å
b	20.1405 ± 0.0001 Å
c	20.1405 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	8169.79 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.1403
Residual factor for significantly intense reflections	0.1256
Weighted residual factors for significantly intense reflections	0.267
Weighted residual factors for all reflections included in the refinement	0.2745
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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