Crystallography Open Database

Information card for entry 4345073

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Coordinates	4345073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C171 H147 Er12 N3 O66
Calculated formula	C165 H93 Er12 O66
Title of publication	The Highly Connected MOFs Constructed from Nonanuclear and Trinuclear Lanthanide-Carboxylate Clusters: Selective Gas Adsorption and Luminescent pH Sensing.
Authors of publication	Li, Yun-Jian; Wang, Yu-Ling; Liu, Qing-Yan
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	4
Pages of publication	2159 - 2164
a	22.4349 ± 0.0005 Å
b	22.4349 ± 0.0005 Å
c	28.8212 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	12562.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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