Crystallography Open Database

Information card for entry 7037549

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Coordinates	7037549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 Cu2 N2 O17
Calculated formula	C21 H13 Cu2 N O10
Title of publication	A pyridyl-decorated MOF-505 analogue exhibiting hierarchical porosity, selective CO2 capture and catalytic capacity.
Authors of publication	Dang, Qin-Qin; Zhan, Yu-Fen; Duan, Li-Na; Zhang, Xian-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	46
Pages of publication	20027 - 20031
a	18.7088 ± 0.0009 Å
b	18.7088 ± 0.0009 Å
c	38.2664 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	11599.5 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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