Crystallography Open Database

Information card for entry 4301654

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Coordinates	4301654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H96 N2 Na2 O30 Zn3
Calculated formula	C106 H96 N2 Na2 O30 Zn3
Title of publication	Three-Dimensional Metal-Organic Frameworks Based on Functionalized Tetracarboxylate Linkers: Synthesis, Strucures, and Gas Sorption Studies
Authors of publication	Shuting Wu; Liqing Ma; La-Sheng Long; Lan-Sun Zheng; Wenbin Lin
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2436 - 2442
a	17.075 ± 0.011 Å
b	20.519 ± 0.013 Å
c	20.205 ± 0.013 Å
α	90°
β	90.12 ± 0.03°
γ	90°
Cell volume	7079 ± 8 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1361
Residual factor for significantly intense reflections	0.107
Weighted residual factors for significantly intense reflections	0.2836
Weighted residual factors for all reflections included in the refinement	0.3064
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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