Crystallography Open Database

Information card for entry 4301653

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Coordinates	4301653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H57 O31 Zn6
Calculated formula	C120 H57 O31 Zn6
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	28.833 ± 0.005 Å
b	41.687 ± 0.007 Å
c	30.561 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	36733 ± 11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.194
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1513
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	0.757
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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