Crystallography Open Database

Information card for entry 7111836

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Coordinates	7111836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H40 Cu2 I2 N8 O4
Calculated formula	C46 H40 Cu2 I2 N8 O4
Title of publication	Cu(I)-MOF: naked-eye colorimetric sensor for humidity and formaldehyde in single-crystal-to-single-crystal fashion
Authors of publication	Yang Yu; Xiao-Meng Zhang; Jian-Ping Ma; Qi-Kui Liu; Peng Wang; Yu-Bin Dong
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1444
a	26.195 ± 0.007 Å
b	10.604 ± 0.003 Å
c	18.493 ± 0.005 Å
α	90°
β	112.035 ± 0.003°
γ	90°
Cell volume	4762 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1863
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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