Crystallography Open Database

Information card for entry 4515102

Preview

Coordinates	4515102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 N4 Ni O9 S
Calculated formula	C24 H22 N4 Ni O9 S
Title of publication	Metal/Carboxylate-Induced Versatile Structures of Nine 0D →3D Complexes with Different Fluorescent and Electrochemical Behaviors
Authors of publication	Liu, Guo-Cheng; Lu, Xue; Li, Xiao-Wu; Wang, Xiu-Li; Xu, Na; Li, Yan; Lin, Hong-Yan; Chen, Yong-Qiang
Journal of publication	ACS Omega
Year of publication	2019
Journal volume	4
Journal issue	17
Pages of publication	17366
a	20.9052 ± 0.0014 Å
b	24.2857 ± 0.0017 Å
c	9.8558 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5003.8 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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