Crystallography Open Database

Information card for entry 7061835

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Coordinates	7061835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H37 B Cu F4 N5 P2
Calculated formula	C46 H37 B Cu F4 N5 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	11.5371 ± 0.0007 Å
b	13.8789 ± 0.0007 Å
c	14.6175 ± 0.0008 Å
α	76.379 ± 0.002°
β	75.218 ± 0.002°
γ	80.553 ± 0.002°
Cell volume	2185.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0498
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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