Crystallography Open Database

Information card for entry 4317359

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Coordinates	4317359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H30 N12 O13 Zn4
Calculated formula	C48 H30 N12 O13 Zn4
Title of publication	Functional Mesoporous Metal-Organic Frameworks for the Capture of Heavy Metal Ions and Size-Selective Catalysis
Authors of publication	Qian-Rong Fang; Da-Qian Yuan; Julian Sculley; Jian-Rong Li; Zheng-Bo Han; Hong-Cai Zhou
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	11637 - 11642
a	27.26 ± 0.012 Å
b	27.26 ± 0.012 Å
c	27.26 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	20257 ± 15 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.1597
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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