Crystallography Open Database

Information card for entry 7206563

7206562 << 7206563 >> 7206564

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Coordinates	7206563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C204 H182 N24 O37 Zn6
Calculated formula	C204 H181.99 N24 O37 Zn6
Title of publication	Confinement of unprecedented tetrahedral water tetramers inside 1D hydrophobic channels of metal‒organic framework hosts
Authors of publication	Yang, Ping; Zhou, Hai-Yun; Zhang, Kun; Ye, Bao-Hui
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	19
Pages of publication	5658
a	23.2562 ± 0.0006 Å
b	23.2562 ± 0.0006 Å
c	62.035 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	29056.6 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1818
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.2321
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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