Crystallography Open Database

Information card for entry 4103707

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Coordinates	4103707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Ca N2 O16 Zn2
Calculated formula	C24 H24 Ca N2 O16 Zn2
Title of publication	A Porous Metal-Organic Replica of α-PbO2 for Capture of Nerve Agent Surrogate
Authors of publication	Ruqiang Zou; Ruiqin Zhong; Songbai Han; Hongwu Xu; Anthony K. Burrell; Neil Henson; Jonathan L. Cape; Donald D. Hickmott; Tatiana V. Timofeeva; Toti E. Larson; Yusheng Zhao
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	17996 - 17999
a	13.167 ± 0.015 Å
b	17.558 ± 0.019 Å
c	13.564 ± 0.016 Å
α	90°
β	90°
γ	90°
Cell volume	3136 ± 6 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1569
Weighted residual factors for all reflections included in the refinement	0.1608
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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