Crystallography Open Database

Information card for entry 7227147

Preview

Coordinates	7227147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H17 Mn N3 O5
Calculated formula	C25 H17 Mn N3 O5
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	10.1184 ± 0.0004 Å
b	11.542 ± 0.0004 Å
c	18.8913 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2206.25 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0676
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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