Crystallography Open Database

Information card for entry 1564501

Preview

Coordinates	1564501.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu2(NeA)4(CH3CN)2.2.5CH3CN
Formula	C53 H37 Cu2 N4.5 O8
Calculated formula	C53 H37 Cu2 N4.5005 O8
Title of publication	Target design and synthesis of three naphthyl-functionalized Copper(II) coordination compounds for their photothermal properties
Authors of publication	Liu, Kuan-Guan; Yao, Zi-Xuan; Li, Jing-Zhe; Yan, Xiao-Wei
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	508
Pages of publication	119608
a	36.7458 ± 0.0018 Å
b	10.2985 ± 0.0005 Å
c	27.4148 ± 0.0014 Å
α	90°
β	110.839 ± 0.001°
γ	90°
Cell volume	9695.8 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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