Crystallography Open Database

Information card for entry 4301652

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Coordinates	4301652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C400 H144 Cu16 N0 O128
Calculated formula	C400 H144 Cu16 O128
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	41.5112 ± 0.0018 Å
b	41.4556 ± 0.0018 Å
c	31.1677 ± 0.0015 Å
α	90°
β	109.408 ± 0.003°
γ	90°
Cell volume	50588 ± 4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1452
Residual factor for significantly intense reflections	0.1086
Weighted residual factors for significantly intense reflections	0.2871
Weighted residual factors for all reflections included in the refinement	0.3122
Goodness-of-fit parameter for all reflections included in the refinement	1.42
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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