Crystallography Open Database

Information card for entry 4305118

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Coordinates	4305118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H60 O24 Zn4
Calculated formula	C88 H36 O24 Zn4
Title of publication	3D Metal-Organic Frameworks Based on Elongated Tetracarboxylate Building Blocks for Hydrogen Storage
Authors of publication	Liqing Ma; Jeong Yong Lee; Jing Li; Wenbin Lin
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	3955 - 3957
a	41.812 ± 0.0019 Å
b	41.8148 ± 0.0019 Å
c	31.1563 ± 0.0015 Å
α	90°
β	109.607 ± 0.003°
γ	90°
Cell volume	51314 ± 4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1043
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1519
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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