Crystallography Open Database

Information card for entry 7227143

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Coordinates	7227143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 N Ni O6
Calculated formula	C13 H11 N Ni O6
Title of publication	Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks
Authors of publication	Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	1
Pages of publication	117
a	12.5405 ± 0.0004 Å
b	13.8008 ± 0.0004 Å
c	7.0319 ± 0.0003 Å
α	90°
β	93.828 ± 0.003°
γ	90°
Cell volume	1214.29 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0475
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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