Crystallography Open Database

Information card for entry 4121236

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Coordinates	4121236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H27 O13 Zn4
Calculated formula	C49 H27 O13 Zn4
Title of publication	Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks
Authors of publication	Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	17731 - 17734
a	60.2326 ± 0.0006 Å
b	60.2326 ± 0.0006 Å
c	60.2326 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	218522 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.1273
Residual factor for significantly intense reflections	0.0878
Weighted residual factors for significantly intense reflections	0.2476
Weighted residual factors for all reflections included in the refinement	0.2819
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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