Crystallography Open Database

Information card for entry 4110004

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Coordinates	4110004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Cu F6 N4 O6 S2
Calculated formula	C21.458 H16 Cu F4.374 N4 O6 S2
Title of publication	Double-Step Gas Sorption of a Two-Dimensional Metal-Organic Framework
Authors of publication	Atsushi Kondo; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Hiroshi Kajiro; Tomonori Ohba; Hirofumi Kanoh; Katsumi Kaneko
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	12362 - 12363
a	27.08 ± 0.02 Å
b	15.096 ± 0.014 Å
c	16.136 ± 0.015 Å
α	90°
β	111.344 ± 0.011°
γ	90°
Cell volume	6144 ± 9 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.3117
Residual factor for significantly intense reflections	0.1415
Weighted residual factors for all reflections	0.4225
Weighted residual factors for significantly intense reflections	0.3556
Goodness-of-fit parameter for all reflections	0.945
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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