Crystallography Open Database

Information card for entry 4346798

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Coordinates	4346798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H44 Cu2 I2 N8 O2
Calculated formula	C50 H44 Cu2 I2 N8 O2
Title of publication	Copper(I) Metal-Organic Framework: Visual Sensor for Detecting Small Polar Aliphatic Volatile Organic Compounds.
Authors of publication	Yu, Yang; Ma, Jian-Ping; Zhao, Chao-Wei; Yang, Jing; Zhang, Xiao-Meng; Liu, Qi-Kui; Dong, Yu-Bin
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	24
Pages of publication	11590 - 11592
a	26.963 ± 0.006 Å
b	10.255 ± 0.002 Å
c	18.684 ± 0.004 Å
α	90°
β	113.18 ± 0.004°
γ	90°
Cell volume	4749.2 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1419
Residual factor for significantly intense reflections	0.0811
Weighted residual factors for significantly intense reflections	0.1458
Weighted residual factors for all reflections included in the refinement	0.1672
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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