Crystallography Open Database

Information card for entry 4301571

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Coordinates	4301571.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PCN-17 (Er)
Formula	C72 H62 Er4 N8 O31 S6
Calculated formula	C72 H56 Er4 N8 O31 S6
Title of publication	Microporous Lanthanide Metal-Organic Frameworks Containing Coordinatively Linked Interpenetration: Syntheses, Gas Adsorption Studies, Thermal Stability Analysis, and Photoluminescence Investigation
Authors of publication	Shengqian Ma; Daqiang Yuan; Xi-Sen Wang; Hong-Cai Zhou
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2072 - 2077
a	26.268 ± 0.004 Å
b	26.268 ± 0.004 Å
c	26.268 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	18125 ± 5 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.1065
Residual factor for significantly intense reflections	0.0947
Weighted residual factors for significantly intense reflections	0.2529
Weighted residual factors for all reflections included in the refinement	0.2635
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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