Crystallography Open Database

Information card for entry 4131316

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Coordinates	4131316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H240 N O121 Y9
Calculated formula	C104 H54 N0.9996 O56.5007 Y9
Title of publication	A Fine-Tuned Metal-Organic Framework for Autonomous Indoor Moisture Control.
Authors of publication	AbdulHalim, Rasha G.; Bhatt, Prashant M.; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	31
Pages of publication	10715 - 10722
a	22.098 ± 0.001 Å
b	22.098 ± 0.001 Å
c	24.706 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	10448.1 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.1399
Residual factor for significantly intense reflections	0.0824
Weighted residual factors for significantly intense reflections	0.2357
Weighted residual factors for all reflections included in the refinement	0.2731
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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