Crystallography Open Database

Information card for entry 7248794

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Coordinates	7248794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H136 N24 Ni3 O34 S2
Calculated formula	C116 H80 N20 Ni3 O16 S2
Title of publication	Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties
Authors of publication	Marttinen, Antti; Lahtinen, Manu
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	25
Pages of publication	3388 - 3400
a	13.6178 ± 0.0001 Å
b	29.7718 ± 0.0002 Å
c	17.1157 ± 0.0002 Å
α	90°
β	104.098 ± 0.001°
γ	90°
Cell volume	6730.15 ± 0.11 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for significantly intense reflections	0.2222
Weighted residual factors for all reflections included in the refinement	0.2267
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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