Crystallography Open Database

Information card for entry 1565969

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Coordinates	1565969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H76 B2 Cu2 F8 N4 P4
Calculated formula	C94 H76 B2 Cu2 F8 N4 P4
Title of publication	Structural characterization, DFT studies and luminescent properties of dinuclear copper(I)-diimine complexes with the S-shape configurations
Authors of publication	Zheng, Dan; Huang, Ting-Hong; Luo, Cheng; Tang, Jing
Journal of publication	Inorganica Chimica Acta
Year of publication	2022
Journal volume	529
Pages of publication	120639
a	13.074 ± 0.008 Å
b	14.786 ± 0.009 Å
c	14.943 ± 0.009 Å
α	61.869 ± 0.01°
β	70.792 ± 0.011°
γ	66.806 ± 0.011°
Cell volume	2305 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.184
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2472
Weighted residual factors for all reflections included in the refinement	0.3117
Goodness-of-fit parameter for all reflections included in the refinement	0.966
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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