Crystallography Open Database

Information card for entry 4515109

Preview

Coordinates	4515109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H16 Cu N4 O8 S
Calculated formula	C25 H16 Cu N4 O8 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	9.5351 ± 0.0007 Å
b	10.0206 ± 0.0007 Å
c	13.5083 ± 0.0009 Å
α	82.07 ± 0.001°
β	77.035 ± 0.002°
γ	66.975 ± 0.001°
Cell volume	1155.76 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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