Crystallography Open Database

Information card for entry 4324507

Preview

Coordinates	4324507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17.5 H21.5 Cu N2.5 O7.5
Calculated formula	C17.5 H7 Cu N2.5 O6.91
Title of publication	Nanotubular Metal-Organic Frameworks with High Porosity Based on T-Shaped Pyridyl Dicarboxylate Ligands
Authors of publication	Shenglin Xiang; Jing Huang; Lei Li; Jianyong Zhang; Long Jiang; Xiaojun Kuang; Cheng-Yong Su
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1743 - 1748
a	11.9132 ± 0.001 Å
b	13.546 ± 0.0011 Å
c	13.67 ± 0.0015 Å
α	90°
β	113.959 ± 0.011°
γ	90°
Cell volume	2015.9 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1709
Residual factor for significantly intense reflections	0.1354
Weighted residual factors for significantly intense reflections	0.3586
Weighted residual factors for all reflections included in the refinement	0.3736
Goodness-of-fit parameter for all reflections included in the refinement	1.249
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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