Crystallography Open Database

Information card for entry 4111907

4111906 << 4111907 >> 4111908

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Coordinates	4111907.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MOP-28
Chemical name	Copper(II) Terthiophenedicarboxylate
Formula	C198 H72 Cu12 N6 O60 S36
Calculated formula	C198 H72 Cu12 N6 O60 S36
Title of publication	Porous Metal-Organic Truncated Octahedron Constructed from Paddle-Wheel Squares and Terthiophene Links
Authors of publication	Zheng Ni; Abderrahim Yassar; Tarek Antoun; Omar M. Yaghi
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	12752 - 12753
a	29.457 ± 0.005 Å
b	29.457 ± 0.005 Å
c	54.236 ± 0.02 Å
α	90°
β	90°
γ	120°
Cell volume	40756 ± 18 Å³
Cell temperature	258 ± 2 K
Ambient diffraction temperature	258 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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