Crystallography Open Database

Information card for entry 7043897

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Coordinates	7043897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H226 Cu6 N30 O50
Calculated formula	C92 H58 Cu6 N6 O26
Title of publication	Fine tuning catalytic and sorption properties of metal-organic frameworks via in situ ligand exchange
Authors of publication	Wang, Peng; Chen, Kai; Liu, Qing; Wang, Huai-Wei; Azam, Mohammad; Al-Resayes, Saud I; Lu, Yi; Sun, Wei-Yin
Journal of publication	Dalton Trans.
Year of publication	2017
a	19.525 ± 0.005 Å
b	19.525 Å
c	60.38 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	23018 ± 10 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	141
Hermann-Mauguin space group symbol	I 41/a m d
Hall space group symbol	-I 4bd 2
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.1613
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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