Crystallography Open Database

Information card for entry 7043895

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Coordinates	7043895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H114 Cu3 N14 O25
Calculated formula	C50 H30 Cu3 N2 O13
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	19.73 ± 0.004 Å
b	19.73 ± 0.004 Å
c	60.06 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	23380 ± 8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0768
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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