Crystallography Open Database

Information card for entry 4129979

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Coordinates	4129979.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CAU-17
Formula	C81 H27 Bi9 O63
Calculated formula	C81 H27 Bi9 O63
Title of publication	Unprecedented Topological Complexity in a Metal-Organic Framework Constructed from Simple Building Units.
Authors of publication	Inge, A. Ken; Köppen, Milan; Su, Jie; Feyand, Mark; Xu, Hongyi; Zou, Xiaodong; O'Keeffe, Michael; Stock, Norbert
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	6
Pages of publication	1970 - 1976
a	47.21 ± 0.002 Å
b	47.21 ± 0.002 Å
c	9.9682 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	19240.5 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1985
Residual factor for significantly intense reflections	0.1061
Weighted residual factors for significantly intense reflections	0.2053
Weighted residual factors for all reflections included in the refinement	0.2623
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.6889 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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