Crystallography Open Database

Information card for entry 7061837

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Coordinates	7061837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H52 B Cu F4 N6 O4 P2
Calculated formula	C61 H52 B Cu F4 N6 O4 P2
Title of publication	Visible-emitting Cu(i) complexes with N-functionalized benzotriazole-based ligands
Authors of publication	Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	39
Pages of publication	18938 - 18951
a	11.3664 ± 0.0005 Å
b	12.6813 ± 0.0006 Å
c	20.9098 ± 0.001 Å
α	96.034 ± 0.002°
β	105.307 ± 0.002°
γ	106.96 ± 0.002°
Cell volume	2725.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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