Crystallography Open Database

Information card for entry 2023043

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Preview

Coordinates	2023043.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[aquacopper(II)]-bis(μ-4-aminobenzoato)-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>] monohydrate]
Formula	C14 H16 Cu N2 O6
Calculated formula	C14 H16 Cu N2 O6
Title of publication	Crystal structure and characterization of a new one-dimensional copper(II) coordination polymer containing a 4-amino-benzoic acid ligand.
Authors of publication	Gogia, Alisha; Novikov, Egor M.; Guzei, Ilia A.; Fonari, Marina S.; Timofeeva, Tatiana V.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 3
Pages of publication	330 - 334
a	6.9143 ± 0.0014 Å
b	6.2111 ± 0.0012 Å
c	17.169 ± 0.003 Å
α	90°
β	90.05 ± 0.03°
γ	90°
Cell volume	737.3 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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