Crystallography Open Database

Information card for entry 4104098

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Coordinates	4104098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H66 O39 S6 Zn12
Calculated formula	C130.928 H66 O39 S7.072 Zn12
Title of publication	A Porous Coordination Copolymer with over 5000 m2/g BET Surface Area
Authors of publication	Kyoungmoo Koh; Antek G. Wong-Foy; Adam J. Matzger
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	4184 - 4185
a	42.1589 ± 0.0008 Å
b	42.1589 ± 0.0008 Å
c	52.5682 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	80916 ± 3 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.132
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.1899
Weighted residual factors for all reflections included in the refinement	0.2136
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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