Crystallography Open Database

Information card for entry 7232483

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Coordinates	7232483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 N6 O2
Calculated formula	C22 H18 N6 O2
Title of publication	Hydrogen-bonded 3D network of d10-metal halide coordination polymer containing N-(3-pyridinyl) nicotinamide: influence of ligand conformation, halide anions and solvent
Authors of publication	Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	16
Pages of publication	2691
a	3.8737 ± 0.0003 Å
b	21.9191 ± 0.0016 Å
c	10.6759 ± 0.0008 Å
α	90°
β	95.751 ± 0.002°
γ	90°
Cell volume	901.91 ± 0.12 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0817
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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