Crystallography Open Database

Information card for entry 7708017

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Coordinates	7708017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 Cu3 N16 O13
Calculated formula	C21 H17 Cu3 N12.5 O5.5
Title of publication	Contiguous layer based metal-organic framework with conjugated π-electron ligand for high iodine capture.
Authors of publication	Xu, Tong; Li, Jiantang; Jia, Mingwei; Li, Guanghua; Liu, Yunling
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	37
Pages of publication	13096 - 13102
a	19.7115 ± 0.001 Å
b	26.1902 ± 0.0012 Å
c	20.0351 ± 0.0011 Å
α	90°
β	113.054 ± 0.002°
γ	90°
Cell volume	9517 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.02 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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