Crystallography Open Database

Information card for entry 4309713

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Coordinates	4309713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 N5 O5 Zn
Calculated formula	C21 H17 N5 O5 Zn
Title of publication	1D Helix, 2D Brick-Wall and Herringbone, and 3D Interpenetration d10 Metal-Organic Framework Structures Assembled from Pyridine-2,6-dicarboxylic AcidN-Oxide
Authors of publication	Li-Li Wen; Dong-Bin Dang; Chun-Ying Duan; Yi-Zhi Li; Zheng-Fang Tian; Qing-Jin Meng
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	7161 - 7170
a	20.74 ± 0.002 Å
b	8.4415 ± 0.001 Å
c	11.4863 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2011 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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